Drug Structure Function & design

<p>The forces involved in controlling protein structure.</p> Signup and view all the answers

<p>Their effect on the body depends on the binding forces with targets.</p> Signup and view all the answers

<p>Passive diffusion</p> Signup and view all the answers

<p>Nucleic acids</p> Signup and view all the answers

<p>Intramuscular</p> Signup and view all the answers

<p>Receptor activation</p> Signup and view all the answers

<p>Liver and kidneys</p> Signup and view all the answers

<p>Does not require energy and uses specific transport proteins</p> Signup and view all the answers

<p>Intravenous</p> Signup and view all the answers

<p>Pinocytosis</p> Signup and view all the answers

<p>The sequence of amino acids</p> Signup and view all the answers

<p>Peptide bonds</p> Signup and view all the answers

<p>Van der Waals interactions</p> Signup and view all the answers

<p>Using primarily non-covalent, reversible interactions</p> Signup and view all the answers

<p>Primary structure includes alpha helices and beta sheets.</p> Signup and view all the answers

<p>Proteins, lipids, nucleic acids, and carbohydrates</p> Signup and view all the answers

<p>The functional group structure of the drug</p> Signup and view all the answers

<p>Covalent bonding</p> Signup and view all the answers

<p>Stereochemistry influences how a drug interacts with its target, affecting its efficacy and safety.</p> Signup and view all the answers

<p>Functional groups affect the polarity of a drug molecule, which in turn determines its solubility in water or lipids.</p> Signup and view all the answers

<p>The binding forces between drugs and target proteins include hydrogen bonds, ionic interactions, and hydrophobic interactions.</p> Signup and view all the answers

<p>Ionization affects a drug's solubility and permeability, influencing how well it can be absorbed in the gastrointestinal tract.</p> Signup and view all the answers

<p>Recognizing functional groups helps anticipate chemical behavior, such as reactions with biological molecules or degradation pathways.</p> Signup and view all the answers

<p>The four basic transport mechanisms are passive diffusion, facilitated diffusion, active transport, and pinocytosis.</p> Signup and view all the answers

<p>Proteins and nucleic acids are primary drug targets because they play crucial roles in cellular functions and interactions.</p> Signup and view all the answers

<p>Active transport requires energy to move drug molecules against their concentration gradient, while passive diffusion does not require energy.</p> Signup and view all the answers

<p>Tissue diffusion refers to the process by which drug molecules spread from the bloodstream into various tissues.</p> Signup and view all the answers

<p>Lipids, carbohydrates, and proteins can act as drug targets because they can interact with drug molecules to elicit biological effects.</p> Signup and view all the answers

<p>The liver is significant in drug metabolism as it is the primary site where drugs are chemically altered before excretion.</p> Signup and view all the answers

<p>The kidney plays a critical role in drug excretion by filtering and eliminating waste products from the bloodstream.</p> Signup and view all the answers

<p>Pinocytosis is the process by which cells engulf liquid containing drug molecules, allowing for absorption.</p> Signup and view all the answers

<p>The primary structure of a protein is simply the order of individual amino acids linked together by peptide bonds.</p> Signup and view all the answers

<p>The two types of secondary structures are alpha helices, which are coiled and held together by hydrogen bonds, and beta-pleated sheets, which are layered and also stabilized by hydrogen bonds.</p> Signup and view all the answers

<p>The tertiary structure represents the overall 3D shape of a protein, which is essential for its functionality and interactions with other molecules, including drugs.</p> Signup and view all the answers

<p>The strongest bond in tertiary structures is the covalent bond, such as disulfide bonds formed between cysteine residues.</p> Signup and view all the answers

<p>Ionic bonds act as strong bonding forces between groups with opposite charges, contributing to the stability of the protein's tertiary structure.</p> Signup and view all the answers

<p>Van der Waals interactions are weak forces that occur between hydrophobic molecules, aiding in the proper folding and stability of protein structures.</p> Signup and view all the answers

<p>The main types of interactions for drug-target binding include ionic interactions, hydrogen bonding, van der Waals interactions, and dipole-dipole interactions.</p> Signup and view all the answers

<p>Covalent bonds are typically stronger and, once formed, can permanently modify the target protein, categorizing them as irreversible interactions.</p> Signup and view all the answers

<p>Hydrogen bond donor and hydrogen bond acceptor</p> Signup and view all the answers

<p>Depend on the polarization of bonds in functional groups</p> Signup and view all the answers

<p>They participate in hydrogen bonding</p> Signup and view all the answers

<p>It serves as hydrogen bond acceptor</p> Signup and view all the answers

<p>Influences solubility and reactivity</p> Signup and view all the answers

<p>Hydrogen bonding</p> Signup and view all the answers

<p>They allow for the formation of ionic bonds with targets</p> Signup and view all the answers

<p>The electronegativity of the atoms involved</p> Signup and view all the answers

<p>Hydroxyl group</p> Signup and view all the answers

<p>They create a temporary attraction between molecules that can enhance binding strength.</p> Signup and view all the answers

<p>Introducing a carboxylic acid group</p> Signup and view all the answers

<p>They define the binding affinity with target proteins.</p> Signup and view all the answers

<p>They can act both as hydrogen bond donors and acceptors.</p> Signup and view all the answers

<p>Hydrogen bonds</p> Signup and view all the answers

<p>They can change the drug's solubility and absorption properties.</p> Signup and view all the answers

<p>Their capacity to ionize and participate in metabolic reactions.</p> Signup and view all the answers

<p>Both HBDs and HBAs can facilitate multiple types of drug interactions.</p> Signup and view all the answers

<p>Ethers cannot act as HBDs and are poor HBAs due to steric hindrance.</p> Signup and view all the answers

<p>They are most significant in drug molecules with non-polar groups.</p> Signup and view all the answers

<p>Converting the OH group to an ether or ester functional group.</p> Signup and view all the answers

<p>They facilitate van der Waals interactions with target sites.</p> Signup and view all the answers

<p>Their capacity to establish ionic and hydrogen bonds.</p> Signup and view all the answers

<p>Modification can alter the drug's solubility and binding characteristics.</p> Signup and view all the answers

<p>Covalent, ionic, ion-dipole, hydrogen bonding, and van der Waals forces.</p> Signup and view all the answers

<p>Ionic bonds and hydrogen bonds are involved in bonding between adrenaline and its target.</p> Signup and view all the answers

<p>Hydrogen bonds contribute to drug solubility and influence boiling points by stabilizing molecular interactions.</p> Signup and view all the answers

<p>Alcohols and phenols facilitate drug interactions by forming hydrogen bonds with target molecules.</p> Signup and view all the answers

<p>The bond strength range for hydrogen bonds is 7-40 kJ mol-1.</p> Signup and view all the answers

<p>Anionic groups form ionic bonds with positively charged regions on target molecules.</p> Signup and view all the answers

<p>The two components are the hydrogen bond donor (HBD) and the hydrogen bond acceptor (HBA).</p> Signup and view all the answers

<p>Adrenaline contains two phenolic OH groups which are crucial for forming hydrogen bonds with its targets.</p> Signup and view all the answers

<p>Electronegative atoms create a polarized distribution of electrons, enhancing dipole-dipole interactions.</p> Signup and view all the answers

<p>The primary factor is the presence of specific interactions such as hydrogen bonds, ionic bonds, and covalent bonds.</p> Signup and view all the answers

<p>Amine groups are basic and can become ionized at physiological pH, allowing them to participate in ionic interactions with drug targets.</p> Signup and view all the answers

<p>Covalent bonds are the strongest type of bonding force in drug-target interactions, making them relatively stable and often irreversible.</p> Signup and view all the answers

<p>The active site is where the drug binds to the target, typically located on or near the surface of the protein, much like a lock and key.</p> Signup and view all the answers

<p>Hydrogen bond donors possess a hydrogen atom attached to an electronegative atom while acceptors are electronegative atoms that can form a bond with the hydrogen.</p> Signup and view all the answers

<p>Ionic bonds can attract opposite charges over greater distances than other bonding forces, allowing for persistent interactions.</p> Signup and view all the answers

<p>Covalent bonding can result in permanent modifications to the drug molecule's structure, affecting its function and pharmacodynamics.</p> Signup and view all the answers

<p>Functional groups determine the ability of a drug to act as either a hydrogen bond donor or acceptor, influencing binding interactions.</p> Signup and view all the answers

<p>The drug can no longer act as a hydrogen bond donor (HBD) and becomes a poor hydrogen bond acceptor (HBA) due to steric hindrance.</p> Signup and view all the answers

<p>London Dispersion Forces facilitate interactions between non-polar groups, such as aromatic rings and aliphatic side chains, enhancing drug-target binding.</p> Signup and view all the answers

<p>Adrenaline's structure interacts with various parts of the target, leading to a stronger overall binding due to the contribution of multiple forces.</p> Signup and view all the answers

<p>Ethers face steric hindrance that prevents them from effectively accepting hydrogen bonds.</p> Signup and view all the answers

<p>The aromatic ring can form van der Waals interactions with the target, enhancing the stability and specificity of binding.</p> Signup and view all the answers

<p>Covalent, ionic, ion-dipole, hydrogen bonding, and van der Waals forces may all play a role in drug-target interactions.</p> Signup and view all the answers

<p>HBDs donate hydrogen atoms to form bonds with acceptors, influencing the strength and specificity of drug-target interactions.</p> Signup and view all the answers

<p>Modifying functional groups like the hydroxyl group can determine if they are essential for binding as HBDs or HBAs by altering their participatory roles.</p> Signup and view all the answers

<p>Change them to saturated carbon chains</p> Signup and view all the answers

<p>Amines</p> Signup and view all the answers

<p>Esters</p> Signup and view all the answers

<p>The arrangement of functional groups necessary for biological activity</p> Signup and view all the answers

<p>To identify essential functional groups that enhance drug activity</p> Signup and view all the answers

<p>Esters cannot engage in hydrogen bonding.</p> Signup and view all the answers

<p>As both hydrogen bond donors and acceptors.</p> Signup and view all the answers

<p>The steric effects of substituents.</p> Signup and view all the answers

<p>Van der Waals forces.</p> Signup and view all the answers

<p>They require metabolic activation to become effective.</p> Signup and view all the answers

<p>Hydrogen bonds can increase specificity in drug interactions.</p> Signup and view all the answers

<p>The spatial arrangement and types of interactions.</p> Signup and view all the answers

<p>Fatty barriers restrict drug permeation and action.</p> Signup and view all the answers

<p>To determine which functional groups are essential for biological activity.</p> Signup and view all the answers

<p>It is the starting point for developing more effective drug analogues.</p> Signup and view all the answers

<p>The necessary functional groups for binding and activity.</p> Signup and view all the answers

<p>Primary and secondary amines.</p> Signup and view all the answers

<p>The changed functional group is important for biological activity.</p> Signup and view all the answers

<p>They may ionize, enabling ionic bonding with target groups.</p> Signup and view all the answers

<p>It helps pinpoint which structural modifications enhance effectiveness and reduce side effects.</p> Signup and view all the answers

<p>Converting it to an amide.</p> Signup and view all the answers

<p>HBDs donate hydrogen atoms to form bonds, while HBAs accept them. This interaction is crucial for the specificity and strength of drug-target binding.</p> Signup and view all the answers

<p>Identifying SARs helps researchers understand which chemical structures contribute to the desired biological activity of a drug. This knowledge guides modifications to enhance potency and reduce side effects.</p> Signup and view all the answers

<p>Ionic bonds create strong electrostatic attractions between charged groups on the drug and its target, enhancing binding affinity. These interactions are particularly important in the context of proteins with charged residues.</p> Signup and view all the answers

<p>Van der Waals interactions provide subtle but important stabilization to drug-target complexes due to their wide-ranging effects over short distances. While individually weak, they collectively contribute to the overall binding energy.</p> Signup and view all the answers

<p>The drug discovery process includes choosing a disease, identifying a target, isolating lead compounds, determining their structures, and improving their interactions. This sequence leads to eventual clinical trials and market introduction.</p> Signup and view all the answers

<p>Conversion to an amide prevents the drug from acting as both a hydrogen bond donor and acceptor.</p> Signup and view all the answers

<p>It alters the drug's geometry from planar sp2 hybrid to tetrahedral sp3 hybrid, which may disrupt dipole-dipole interactions.</p> Signup and view all the answers

<p>Esters are designed to mask polar groups, making them less polar for easier membrane penetration before being hydrolyzed.</p> Signup and view all the answers

<p>The polarized carbonyl groups in aldehydes and ketones create dipoles that interact with target molecules.</p> Signup and view all the answers

<p>The carbonyl oxygen can accept hydrogen bonds, thus participating in critical drug-target interactions.</p> Signup and view all the answers

<p>Conversion to an ether may impair the drug's capacity to act as a hydrogen bond acceptor due to increased distance.</p> Signup and view all the answers

<p>Hydrogen bonds stabilize the binding of drugs by providing specific interactions with target proteins.</p> Signup and view all the answers

<p>The reduction changes the molecule from a planar to a tetrahedral structure, potentially distancing it from effective binding with the target.</p> Signup and view all the answers

<p>Creating analogues helps identify which parts of the molecule are necessary for binding and activity.</p> Signup and view all the answers

<p>Modifications can either retain, enhance, or reduce the drug's activity, indicating the importance of specific functional groups.</p> Signup and view all the answers

<p>Aromatic groups can be changed to aliphatic groups to evaluate their structure-activity relationship (SAR).</p> Signup and view all the answers

<p>A pharmacophore defines the key functional groups required for a drug's binding and biological activity.</p> Signup and view all the answers

<p>Carbonyl groups act as hydrogen bond acceptors (HBAs) in drug interactions.</p> Signup and view all the answers

<p>Esters are often used in the formation of prodrugs to enhance membrane permeability for drug absorption.</p> Signup and view all the answers

<p>HBDs and HBAs facilitate binding between drugs and their targets through hydrogen bonding.</p> Signup and view all the answers

<p>Amines can form ionic bonds and hydrogen bonds, acting as both hydrogen bond donors (HBDs) and acceptors (HBAs).</p> Signup and view all the answers

<p>Converting amines to amides helps assess the significance of amine binding in the drug's interaction with its target.</p> Signup and view all the answers

<p>Identifying functional groups is crucial for predicting the drug's reactivity, solubility, and binding interactions with targets.</p> Signup and view all the answers

<p>SARs are established by making small variations in the drug's structure and re-testing for biological activity.</p> Signup and view all the answers

<p>At physiological pH, ionized amines can form ionic bonds with negatively charged groups, enhancing binding.</p> Signup and view all the answers

<p>Reduced activity suggests that the modified functional group is important for binding and activity.</p> Signup and view all the answers

<p>A prodrug is an inactive compound that becomes active when metabolized in the body, typically through hydrolysis.</p> Signup and view all the answers

<p>Carboxylic acids can participate in drug interactions through ionic bonding or hydrogen bonding, acting as both hydrogen bond donors (HBD) and acceptors (HBA).</p> Signup and view all the answers

<p>Converting a carboxylic acid to an ester eliminates its ability to participate in ionic bonding and reduces its hydrogen bonding capacity.</p> Signup and view all the answers

<p>Van der Waals forces facilitate interactions between drug molecules and hydrophobic regions of their targets, aiding in binding.</p> Signup and view all the answers

<p>Hydroxyl groups enhance solubility and enable hydrogen bonding, thus improving the interaction between the drug and its target.</p> Signup and view all the answers

<p>Ester linkages cannot form ionic bonds and cannot act as hydrogen bond donors, reducing the overall binding affinity of the drug.</p> Signup and view all the answers

<p>Alkenes and aromatics interact with target proteins primarily through van der Waals forces, engaging with hydrophobic regions.</p> Signup and view all the answers

<p>For a prodrug to exert its effects, it must undergo metabolic conversion, typically through hydrolysis or enzymatic action.</p> Signup and view all the answers

<p>Enhances selectivity for specific target proteins</p> Signup and view all the answers

<p>Designing drugs based on specific receptor targets</p> Signup and view all the answers

<p>A combination of various interaction types fine-tuning affinity</p> Signup and view all the answers

<p>They can alter the drug's solubility and stability</p> Signup and view all the answers

<p>They can maintain biological activity while modifying unwanted properties</p> Signup and view all the answers

<p>It affects both efficacy and safety of the drug</p> Signup and view all the answers

<p>Molecules with similar size but different electronic distributions</p> Signup and view all the answers

<p>The ease of synthesis and yield of the drug</p> Signup and view all the answers

<p>It refers to the dose range between effective and toxic levels</p> Signup and view all the answers

<p>Allows for more structural variations</p> Signup and view all the answers

<p>Determines its metabolic stability</p> Signup and view all the answers

<p>Enhances drug potency and specificity</p> Signup and view all the answers

<p>It aims to optimize drug interactions with specific biological targets</p> Signup and view all the answers

<p>Similar in size but significantly differentiate in polarity</p> Signup and view all the answers

<p>They contribute to a more stable and predictable conformation</p> Signup and view all the answers

<p>To improve the stability of the drug-receptor interaction.</p> Signup and view all the answers

<p>Synthesizing unrelated molecules.</p> Signup and view all the answers

<p>They play a critical role in the interaction between drug and target.</p> Signup and view all the answers

<p>Changing the number of carbons in the ring.</p> Signup and view all the answers

<p>Isosteric modifications can affect the physico-chemical properties of the drug.</p> Signup and view all the answers

<p>Enhanced interaction with unintended receptors.</p> Signup and view all the answers

<p>It can enhance or diminish binding affinity.</p> Signup and view all the answers

<p>To enhance binding interactions with target proteins.</p> Signup and view all the answers

<p>They can improve pharmacokinetic properties while mimicking original functional groups.</p> Signup and view all the answers

<p>Shortening the length of a carbon chain to enhance efficacy.</p> Signup and view all the answers

<p>Rigidification locks a drug into a more rigid conformation, increasing its activity and decreasing side effects.</p> Signup and view all the answers

<p>The hydrophilic/hydrophobic character affects the drug's absorption, distribution, and elimination, influencing its overall bioavailability.</p> Signup and view all the answers

<p>Isosteres in drug design help to maintain similar size while altering polarity and electronic distribution for improved efficacy.</p> Signup and view all the answers

<p>Metabolic stability is crucial because it determines how long a drug remains active in the body before being broken down.</p> Signup and view all the answers

<p>Rotatable bonds are bonds in a molecular structure that allow rotation, impacting the molecule's conformational flexibility.</p> Signup and view all the answers

<p>Phase I involves oxidation, reduction, and hydrolysis, while Phase II includes conjugation reactions to make drugs more polar.</p> Signup and view all the answers

<p>A drug's size affects its ability to cross cell membranes, influencing absorption and distribution in the body.</p> Signup and view all the answers

<p>The therapeutic window is the range between the effective dose and the dose that causes adverse effects.</p> Signup and view all the answers

<p>Ionization affects a drug's solubility and permeability, both critical for its absorption in the gastrointestinal tract.</p> Signup and view all the answers

<p>The R-enantiomer was effective for morning sickness, while the S-enantiomer caused severe birth defects.</p> Signup and view all the answers

<p>Fixed bonds restrict movement, contributing to the rigidity of a drug molecule and potentially enhancing its binding affinity.</p> Signup and view all the answers

<p>LD50 refers to the lethal dose required to kill 50% of the subjects tested.</p> Signup and view all the answers

<p>Manufacturing considerations include ease of synthesis, economic costs, and safety.</p> Signup and view all the answers

<p>The formation of toxic metabolites can halt the progression of drug studies.</p> Signup and view all the answers

<p>In vitro testing uses engineered cell cultures, while in vivo testing involves living organisms like lab animals.</p> Signup and view all the answers

<p>Racemic mixtures can include both beneficial and harmful isomers, complicating safety and efficacy.</p> Signup and view all the answers

<p>The pharmacophore identifies crucial functional groups required for drug activity and their spatial arrangement, simplifying complex lead compounds.</p> Signup and view all the answers

<p>Target-oriented drug design improves efficacy by creating analogues that enhance activity, reduce side effects, and facilitate easier administration.</p> Signup and view all the answers

<p>Substituent variations can affect the steric fit and interactions of the drug with its target, influencing potency and selectivity.</p> Signup and view all the answers

<p>Ring variations can introduce additional binding sites and alter the drug's conformation, enhancing its interaction with target receptors.</p> Signup and view all the answers

<p>Isosteres are used to replace atoms or groups in a molecule to maintain similar properties while modifying biological activity.</p> Signup and view all the answers

<p>Chain extensions or contractions can strengthen or weaken interactions with the receptor, consequently improving or diminishing drug efficacy.</p> Signup and view all the answers

<p>By identifying key functional groups and their arrangement, the pharmacophore allows for the reduction of complex natural products into simpler, more amenable drug candidates.</p> Signup and view all the answers

<p>Understanding drug metabolites is essential to predict the drug's pharmacokinetic behavior and potential toxicity.</p> Signup and view all the answers

<p>Synthetic challenges can limit the feasibility of creating certain drug analogues, impacting the design choices made during drug development.</p> Signup and view all the answers

<p>Clinical trials assess the safety and efficacy of the designed drug in humans, providing critical feedback that can inform future modifications and developments.</p> Signup and view all the answers

<p>More than 5 H-bond acceptors</p> Signup and view all the answers

<p>It outlines key functional groups responsible for biological activity.</p> Signup and view all the answers

<p>Hydrophobic interactions</p> Signup and view all the answers

<p>Hydrogen bonds can be formed between drug functional groups and protein targets.</p> Signup and view all the answers

<p>Likely poor absorption</p> Signup and view all the answers

<p>It outlines five specific criteria that determine a drug's solubility and permeability.</p> Signup and view all the answers

<p>To identify the specific structural features necessary for biological activity.</p> Signup and view all the answers

<p>Ionic interactions and hydrogen bonds are crucial for protein conformations.</p> Signup and view all the answers

<p>They facilitate reversible interactions, enhancing binding affinity.</p> Signup and view all the answers

<p>It decreases the likelihood of good absorption and permeation.</p> Signup and view all the answers

<p>Lipinski's Rule of Five includes molecular weight under 500, log P under 5, fewer than 5 H-bond donors, and fewer than 10 H-bond acceptors. These parameters help predict drug absorption and permeability.</p> Signup and view all the answers

<p>A pharmacophore is a set of functionalities responsible for the biological activity of a drug molecule. It guides the design of new compounds by highlighting essential features for target interaction.</p> Signup and view all the answers

<p>Hydrogen bond donors are molecules that provide a hydrogen atom, usually with an attached electronegative atom like oxygen or nitrogen, while acceptors are typically electronegative atoms that can attract hydrogen atoms. This distinction is crucial for understanding how drugs bind to their targets.</p> Signup and view all the answers

<p>Protein structure determines the shape and functionality of the protein, influencing how drugs interact with specific sites. Understanding the structure helps in predicting the efficacy and selectivity of drug actions.</p> Signup and view all the answers

<p>The strength of intermolecular forces is influenced by the types of bonds (ionic, hydrogen, van der Waals) and the spatial arrangement of functional groups on both the drug and target protein. These interactions dictate binding affinity and specificity.</p> Signup and view all the answers

<p>Violating Lipinski's Rule of Five can lead to poor absorption and permeability, making it challenging for drugs to be effectively delivered in the body.</p> Signup and view all the answers

<p>Hydrogen bond donors and acceptors play critical roles in stabilizing drug-target interactions by facilitating specific bonding that enhances binding affinity.</p> Signup and view all the answers

<p>A pharmacophore is a set of structural features that are necessary for the biological activity of a drug, guiding the development of new therapeutic agents.</p> Signup and view all the answers

<p>The efficacy of a drug is closely related to its ability to interact with the three-dimensional structure of its target protein, influencing binding and subsequent biological response.</p> Signup and view all the answers

<p>Functional groups determine the chemical behavior of drug molecules, influencing their solubility, reactivity, and interactions with biological targets.</p> Signup and view all the answers

<p>More than 10 H-bond acceptors</p> Signup and view all the answers

<p>Hydrogen bonds</p> Signup and view all the answers

<p>More potent analogues of existing drugs</p> Signup and view all the answers

<p>Fewer than 5 H-bond donors are beneficial for absorption.</p> Signup and view all the answers

<p>It generally hampers absorption.</p> Signup and view all the answers

<p>Excessive H-bond donors</p> Signup and view all the answers

<p>They tend to permeate membranes better.</p> Signup and view all the answers

<p>They treat specific disorders like gut conditions.</p> Signup and view all the answers

<p>Be soluble in lipid and water.</p> Signup and view all the answers

<p>11%</p> Signup and view all the answers

<p>Hydrophobicity level from Log P values.</p> Signup and view all the answers

<p>Donors usually include N, O or F atoms.</p> Signup and view all the answers

<p>It is very hydrophobic and likely to be trapped in membranes.</p> Signup and view all the answers

<p>It will not pass lipid membranes effectively.</p> Signup and view all the answers

<p>Molecular weight and solubility.</p> Signup and view all the answers

<p>12%</p> Signup and view all the answers

<p>They can probe the hydrophobic pocket's dimensions.</p> Signup and view all the answers

<p>They help in altering acidity and basicity of the molecule.</p> Signup and view all the answers

<p>Fewer than five hydrogen bond donors and acceptors.</p> Signup and view all the answers

<p>They can alter the potency by affecting hydrogen bonding.</p> Signup and view all the answers

<p>Lower molecular weight improves solubility and permeability.</p> Signup and view all the answers

<p>They are crucial for the initial drug recognition process.</p> Signup and view all the answers

<p>Making small, iterative changes to drug structures.</p> Signup and view all the answers

<p>Lead compounds often have low activity and significant side effects.</p> Signup and view all the answers

<p>It refers to the accidental discovery of something fortunate while searching for something else.</p> Signup and view all the answers

<p>His quote suggests that chance favors those who are prepared to observe and recognize important findings.</p> Signup and view all the answers

<p>Clonidine was initially designed to be a nasal vasoconstrictor for nasal drops and shaving soaps.</p> Signup and view all the answers

<p>Disulfiram induces an acute sensitivity to alcohol, helping to deter consumption in individuals with alcoholism.</p> Signup and view all the answers

<p>Lipinski's Rule of Five identifies key molecular characteristics important for the oral bioavailability of drugs.</p> Signup and view all the answers

<p>His discovery was accidental but rooted in systematic pharmaceutical research and experiments.</p> Signup and view all the answers

<p>Survivors of mustard gas exposure lost their white blood cells' natural defenses, leading to the study of leukemia's cell proliferation.</p> Signup and view all the answers

<p>Clinical trials reveal unexpected properties and effects of drugs, leading to potential new applications.</p> Signup and view all the answers

<p>A pharmacophore is defined as an ensemble of steric and electronic features necessary for optimal interactions with a biological target to trigger or block biological responses.</p> Signup and view all the answers

<p>QSAR, or quantitative structure-activity relationship, is the process of quantitatively correlating chemical structure with specific biological activity or chemical reactivity.</p> Signup and view all the answers

<p>The primary goal of lead optimisation is to improve drug efficacy, focusing on stability and bioavailability towards developing effective pro-drugs.</p> Signup and view all the answers

<p>Pro-drugs undergo chemical transformation in the bloodstream or specific tissues to release biologically active metabolites, which are the actual therapeutic agents.</p> Signup and view all the answers

<p>Log P values indicate the lipophilicity of a compound, which influences its permeability, bioavailability, and potential distribution within the body.</p> Signup and view all the answers

<p>A compound must be both soluble in water and lipid to cross membranes effectively.</p> Signup and view all the answers

<p>SAR studies are important because they help in understanding how changes in chemical structure impact biological activity, aiding in the design of better therapeutic agents.</p> Signup and view all the answers

<p>A Log P value above 5 indicates that the compound is very hydrophobic, which can lead to it being trapped in membranes.</p> Signup and view all the answers

<p>The liver metabolizes drugs, helping to convert them into their active or inactive forms, which affects their bioavailability and elimination from the body.</p> Signup and view all the answers

<p>Steric features in a pharmacophore influence how effectively a drug's shape and size can interact with its biological target, impacting binding and overall efficacy.</p> Signup and view all the answers

<p>Hydroxyl and amine groups act as hydrogen bond donors in drug molecules.</p> Signup and view all the answers

<p>Excessive hydrogen bonding can hinder a drug's ability to pass through lipid membranes.</p> Signup and view all the answers

<p>Electron donating substituents enhance nucleophilicity, allowing for more efficient chemical modifications.</p> Signup and view all the answers

<p>Hydrophobic pockets interact with alkyl substituents, influencing the drug's binding affinity and specificity.</p> Signup and view all the answers

<p>Compounds with a molecular weight greater than 500 g/mol are less likely to be successful in oral delivery.</p> Signup and view all the answers

<p>Lipinski's Rule of Five helps predict the oral bioavailability of drug candidates, guiding the optimization process.</p> Signup and view all the answers

<p>Successful drugs typically have fewer than 10 hydrogen bonds in their molecular structure.</p> Signup and view all the answers

<p>Aromatic substituents can adjust acidity and basicity, thereby modulating the strength of hydrogen bonds.</p> Signup and view all the answers

<p>The partition coefficient (P) is the ratio of a drug's concentration in octanol to its concentration in water, indicating its solubility.</p> Signup and view all the answers

<p>Compounds that bond too strongly to themselves cannot easily pass lipid membranes.</p> Signup and view all the answers

<p>Changing substituent size affects steric hindrance, potentially altering binding strength within the target site.</p> Signup and view all the answers

<p>Incorporating heteroatoms can enhance solubility and modify the electronic properties of the molecule.</p> Signup and view all the answers

<p>The primary challenge is achieving consistent activity and stability due to scale-up processes.</p> Signup and view all the answers

<p>Lead compounds frequently have low activity, poor selectivity, or significant side effects, necessitating modifications.</p> Signup and view all the answers

<p>Lipinski’s Rule of Five helps to predict the likelihood of poor absorption of drug candidates based on their molecular properties, guiding drug design.</p> Signup and view all the answers

<p>Lipinski’s Rule states that more than 5 H-bond donors and more than 10 H-bond acceptors are likely to hinder drug absorption.</p> Signup and view all the answers

<p>Paul Ehrlich is known as the 'Father of Chemotherapy' for developing the first effective medicinal treatment for syphilis.</p> Signup and view all the answers

<p>SAR refers to the relationship between the chemical structure of a molecule and its biological activity, guiding modifications for improved efficacy.</p> Signup and view all the answers

<p>To enhance polarity, one could shorten the alkyl chain or add a methoxy (-OCH3) group to the para position of the ring.</p> Signup and view all the answers

<p>Certain drug types, like antibiotics and medications for gut disorders, can exceed these parameters while still being effective due to their delivery methods.</p> Signup and view all the answers

<p>A log P value over 5 indicates that poor absorption is likely, as it suggests high lipophilicity which may hinder solubility.</p> Signup and view all the answers

<p>Rejecting candidates that do not meet Lipinski’s Rule can streamline the drug discovery process to focus on those that are more likely to be absorbed effectively.</p> Signup and view all the answers

<p>The pharmacophore is crucial as it defines the necessary steric and electronic features required for effective interaction with biological targets.</p> Signup and view all the answers

<p>Lead optimization aims to enhance a drug's efficacy by improving its stability and bioavailability through modifications to its chemical structure.</p> Signup and view all the answers

<p>Pro-drugs are designed to undergo transformation in the body, releasing active metabolites that exert the desired therapeutic effect.</p> Signup and view all the answers

<p>QSAR quantitatively correlates chemical structures with their biological activities, providing a predictive framework for designing more effective drugs.</p> Signup and view all the answers

<p>Log P values indicate a compound's hydrophilicity or lipophilicity; higher Log P often correlates with increased membrane permeability, thus affecting solubility.</p> Signup and view all the answers

<p>It is essential because most lead compounds often have low activity, poor selectivity, and significant side effects.</p> Signup and view all the answers

<p>Modifying chemical structures can enhance therapeutic properties while minimizing side effects, leading to more effective drugs.</p> Signup and view all the answers

<p>Alkyl substituents can interact with hydrophobic pockets, and varying their length and bulk can help probe the pocket's depth and width.</p> Signup and view all the answers

<p>Benzylpenicillin's structure exemplifies how specific functional groups and their arrangements influence antibacterial efficacy.</p> Signup and view all the answers

<p>Aromatic substituents can alter the basicity and acidity of the molecule, as well as the positioning of hydrogen bonding groups which may enhance potency.</p> Signup and view all the answers

<p>High Log P values indicate greater lipophilicity, which can reduce a compound's solubility in water, affecting absorption and distribution.</p> Signup and view all the answers

<p>Lipinski's Rule of Five is a set of guidelines that helps predict good molecular drug characteristics such as solubility and permeability.</p> Signup and view all the answers

<p>Small iterative changes can optimize molecules for effectiveness, safety, solubility, and selectivity.</p> Signup and view all the answers

<p>Imidazo[1-5a]pyridines serve as versatile scaffolds that can accommodate various substituents for enhanced biological activity.</p> Signup and view all the answers

<p>Changing the position of hydrogen bonding groups can increase drug potency by improving interactions with biological targets.</p> Signup and view all the answers

<p>Factors include the length, bulk, and type of substituents, as well as their interactions with specific binding sites.</p> Signup and view all the answers

<p>Molecular weight over 500, log P over 5, more than 5 H-bond donors, and more than 10 H-bond acceptors.</p> Signup and view all the answers

<p>SAR helps in identifying the relationship between a drug's chemical structure and its biological activity, guiding modifications for improved efficacy.</p> Signup and view all the answers

<p>Non-oral route drugs, drugs for gut disorders, antibiotics, antifungals, vitamins, and cardiac glycosides are exceptions.</p> Signup and view all the answers

<p>It allows for targeted treatment of diseases while minimizing damage to healthy cells.</p> Signup and view all the answers

<p>Altering the structure can improve the drug's polarity, leading to better solubility and absorption.</p> Signup and view all the answers

<p>H-bond donors provide protons while acceptors can stabilize the binding interactions between the drug and its target.</p> Signup and view all the answers

<p>It suggests that the compound is more lipophilic, which may lead to poor absorption in aqueous environments.</p> Signup and view all the answers

<p>They influence a drug's solubility and ability to permeate biological membranes, affecting bioavailability.</p> Signup and view all the answers

<p>The key factors include size, solubility, and hydrogen bonding capabilities of the compound.</p> Signup and view all the answers

<p>Compounds with molecular weights greater than 500 g/mol are less successful for oral delivery as they tend to have poor membrane permeability.</p> Signup and view all the answers

<p>Log P is the partition coefficient (octanol/water) that indicates a compound's hydrophobicity and is crucial for determining its solubility in both water and lipid environments.</p> Signup and view all the answers

<p>Lipinski's rule suggests that drug compounds should ideally possess no more than 5 hydrogen bond donors and ideally not more than 10 hydrogen bond acceptors to enhance permeability.</p> Signup and view all the answers

<p>Hydrogen bond donors, such as OH and NH groups, provide the ability to interact with target molecules, while acceptors like O and N are essential for forming these interactions.</p> Signup and view all the answers

<p>If a compound is too soluble in water, it may not cross lipid membranes well, and if too soluble in lipids, it may get trapped in membranes, preventing absorption.</p> Signup and view all the answers

<p>Compounds with high Log P values are very hydrophobic, which can cause them to stick to membranes and hinder their ability to cross them.</p> Signup and view all the answers

<p>Only 12% of the compounds had more than 10 hydrogen bonds, implying that excessive hydrogen bonding can limit a compound's efficacy in absorption.</p> Signup and view all the answers

<p>Serendipity is the accidental discovery of something fortunate while looking for something else. It highlights how chance encounters can lead to significant scientific advancements.</p> Signup and view all the answers

<p>Louis Pasteur's quote suggests that while chance may provide opportunities, only those who are prepared can effectively capitalize on them. This underscores the importance of thorough research and systematic experimentation.</p> Signup and view all the answers

<p>Disulfiram was discovered when rubber industry workers found they developed a distaste for alcohol due to an antioxidant exposure. It is primarily used to treat chronic alcoholism by causing an acute sensitivity to alcohol.</p> Signup and view all the answers

<p>Clonidine was originally designed as a nasal vasoconstrictor, but clinical trials revealed its ability to lower blood pressure. It became an important antihypertensive medication due to this unexpected effect.</p> Signup and view all the answers

<p>Sildenafil was initially developed as a heart treatment to act as a vasodilator, but it gained popularity as a treatment for erectile dysfunction. This shift in use showcases the unpredictable nature of drug applications.</p> Signup and view all the answers

<p>Lipinski's Rule of Five is a set of criteria that helps predict the oral bioavailability of drug-like compounds based on their molecular characteristics. It is important in drug development as it guides the selection of viable drug candidates.</p> Signup and view all the answers

<p>Serendipity contributes an element of surprise and innovation in pharmaceutical discovery, as it can lead to novel uses for existing compounds. This unexpected exploration often results in breakthroughs that structured research may overlook.</p> Signup and view all the answers

<p>Albert Hofmann’s accidental ingestion of LSD during a lab experiment led to the discovery of its psychoactive properties, emphasizing how unplanned events can result in significant scientific revelations. This reinforces the unpredictable nature of drug discovery.</p> Signup and view all the answers