Drug designing and

Enzymology

Submitted by :Mahnoor Khawaja

Submitted to: Dr. Amber

Introduction

• Drugs act by binding to a receptor and

modifies its function.

• Lead compounds are best candidates for this

purposes .

Enzymes Proteins Neurotransmitters

Lead compound

target validation

high-throughput screening

lead optimization

preclinical drug

development

clinical drug development

SARs and QSARs

SARs

• Relationship between chemical or 3D of a molecule and its biological activity

• Can help to insert new chemical groups into the biomedical compound and test the results.

• Uses X-rays and NMR techniques.

QSARs

• Gives idea that there is simple mathematical relationship between biological activity of drug and physiology chemical properties.

• Calculate dosage

Pharmacokinetics

Pharmacokinetics, described as what the body does to a drug,refers to the movement of drug into, through, and out of thebody—the time course of its absorption bioavailability distributionmetabolism and excretion.

‘make many compounds and see what they do’

Formulation of HIV1 protease

HIV-1 protease is a retropepsin, that is essential for the life-

cycle of HIV.

HIV protease inhibitors, decreases in plasma HIV level, effect replication

infection rate of additional cells

Mechanism

Binding to the active site

Mimic the tetrahedral

intermediate of its substrate

Become stuck

Produces immature proteins

Work with reverse transcriptase , to

lower the intensity.