Computer
aided drug design (CADD):
1. Virtual screening: concept, drug likeness screening,
focused screening libraries for lead identification, pharmacophore screening,
structure based virtual screening and applications.
2. Molecular modeling: Molecular mechanics, quantam
mechanics, modeling ligands for known receptors and unknown receptors.
Rational
Drug design: Quantitative structure
activity relationship (QSAR): Physico chemical properties: hydrophobicity,
electronic effects, steric factors-Taft’s steric factor (Es), molar
refractivity, verloop steric parameter, other physico chemical parameters.
Methods
used to correlate physico chemical parameters with biological activity: Hansch
analysis, Free and Wilson approach, Topliss scheme, bioisosteres, planning a
QSAR study. 3D QSAR, molecular graphics based drug design and mathematical
methods.
Enzyme
Inhibitors: A detailed study of the
following types of enzyme inhibitors, related drugs and their pharmaceutical
significance.
• P.G. Synthease (Cyclooxygenase and Lipoxygenase)
inhibitors,
• Phosphodiesterase (PDE) inhibitors,
• HMG Co A reductase inhibitors,
• Xanthine oxidase inhibitors,
• Angiotensin convertin enzyme (ACE) inhibitors.
Anti
Viral Agents: Viruses, viral
diseases, structure and life cycle of viruses; antiviral agents used against
DNA viruses- herpes, chicken pox; and RNA viruses – HIV, influenza.
Chemotherapy
of Cancer: Molecular biology of
caner: introduction, biochemical basis of cancer, types of cancer, SAR and
mechanism of action of anticancer agents, alkylating agents, antimetabolites,
antitumor antibiotics. A brief account on cancer chemotherapy and drug
resistance.