DRUG TARGETS
AND
DRUG DESIGNING
,CONTENTS:
Introduction and types of drug targets
Introduction to molecular modeling and computational chemistry
Structure based designing
Ligand-based designing
Various techniques in drug synthesis
, Drug Targets
A drug target is a molecule in the body, usually a protein, that is intrinsically
with a particular disease process and that could be addressed by a drug to
desired therapeutic effect.
Drug Target as Bimolecular target
◦ It is a key molecule that is involved in a metabolic or signaling pathway tha
specific disease condition to determine the effectivity of survival of a
pathogen.
◦ Small molecules can be designed not to affect any other important off target m
anti-target molecules since drug interactions with off target molecules m
undesirable side effects.
, Target binds:
Molecular reco
Types of Drug Targets site to which dr
3. Ion chan
1. Protein molecule 2. A receptor
Ligand-
Structural proteins such as tubulin G protein-coupled receptors
Membrane transport proteins channel
(target of 50% of drugs)
Voltage
Immunophilin Nuclear hormone receptors
channel
5. Nucleic acids
4. Transport molecule 6. Enzyme
DNA itself has been shown to be the
Solute carrier (SLC) Protein
receptor for many drugs used in cancer Protease
transporters (facilitate the
and other diseases. It works via diff. Esterase
transport of a wide array of
mechanisms like chemical modification Phospha
substrates across biological
and cross linking of DNA (cisplatin) or
membranes)
cleavage of the DNA (bleomycin).
AND
DRUG DESIGNING
,CONTENTS:
Introduction and types of drug targets
Introduction to molecular modeling and computational chemistry
Structure based designing
Ligand-based designing
Various techniques in drug synthesis
, Drug Targets
A drug target is a molecule in the body, usually a protein, that is intrinsically
with a particular disease process and that could be addressed by a drug to
desired therapeutic effect.
Drug Target as Bimolecular target
◦ It is a key molecule that is involved in a metabolic or signaling pathway tha
specific disease condition to determine the effectivity of survival of a
pathogen.
◦ Small molecules can be designed not to affect any other important off target m
anti-target molecules since drug interactions with off target molecules m
undesirable side effects.
, Target binds:
Molecular reco
Types of Drug Targets site to which dr
3. Ion chan
1. Protein molecule 2. A receptor
Ligand-
Structural proteins such as tubulin G protein-coupled receptors
Membrane transport proteins channel
(target of 50% of drugs)
Voltage
Immunophilin Nuclear hormone receptors
channel
5. Nucleic acids
4. Transport molecule 6. Enzyme
DNA itself has been shown to be the
Solute carrier (SLC) Protein
receptor for many drugs used in cancer Protease
transporters (facilitate the
and other diseases. It works via diff. Esterase
transport of a wide array of
mechanisms like chemical modification Phospha
substrates across biological
and cross linking of DNA (cisplatin) or
membranes)
cleavage of the DNA (bleomycin).
