Drug Design Flashcards
What is a drug target ?
a kind of biological macromolecule in the body that have a pharmacodynamics function by interacting with drugs,
examples of drug targets ?
proteins. G protein-coupled receptors (target of 50% of drugs) enzymes (especially protein kinases, proteases, esterases, and phosphatases) ion channels. ligand-gated ion channels.
What are the different approaches to drug discovery ?
Early Drug Discovery, Pre-Clinical Phase, Clinical Phases, and Regulatory Approval.
Medicines and Healthcare products Regulatory Agency (MHRA) in the United Kingdom (UK) for permission to conduct clinical trials on humans
What do we mean by Hit to lead identification/discovery ? What is the goal ?
Hit to lead (H2L) also known as lead generation is a stage in early drug discovery where small molecule hits from a high throughput screen (HTS) are evaluated and undergo limited optimization to identify promising lead compounds.
How can we optimise a lead compound?
hydrophilic and ionizable groups can enhance solubility by reducing the lipophilicity
How do we carry out preclinical testing of compounds? Benefits of in vivo vs in vitro testing ?
Organism, while "in vitro" means research done in a laboratory dish or test tube
What is a pharmacophore
hydrogen-bond acceptor (A), hydrogen-bond donor (D), positive ionizable (P), negative ionizable (N), lipophilic (L), aromatic (R), and π-systems (Q)
part of a molecular structure that is responsible for a particular biological or pharmacological interaction that it undergoes.
What do we mean by a receptor ? what is an orphan receptor ?
A molecule inside or on the surface of a cell that binds to a specific substance and causes a specific effect in the cell.
protein that has a similar structure to other identified receptors but whose endogenous ligand has not yet been identified.
What are the different classifications of drugs ?
central nervous system (CNS) depressants, CNS stimulants, hallucinogens, dissociative anesthetics, narcotic analgesics, inhalants, and cannabis.
What are the typical properties of a small molecule drug?
low molecular weight, making them penetrate cells easily.
Define potency and efficacy and how they affect the shape of the drug response curve
What do we mean by IC50, GI50, ED50, LD50 ?
The EC50 is the concentration of a drug that gives half-maximal response. The IC50 is the concentration of an inhibitor where the response (or binding) is reduced by half.
LC/LD50 will be applicable to animals (rats, mice..etc)
What are agonists and antagonists and what effect do they have on a dose response curve in terms of potency and efficacy?
Agonist curve is uphill
Antagonist is downhill
