QSAR - Quantum Chemistry in Drug Design

Dear Friends:
While several QSAR related techniques and methodologies are appearing in drug
design Journals, very few talk about the more accurate quantum chemical
methods in drug design arena.

* What are the bottlenecks for the quantum chemical methods to get into the
area of drug design.

* For small molecules QC methods plays greater role, but for handling drug-
like molecules and handling several thousands of compounds, QC methods do not
see the limelight (correct me if i am wrong). Is the CPU-intensiveness alone
is the reason. Or is there any some conceptual gap in this. [ I hear someone
saying CPU-intensive is the reason and one has to wait for months to get
results ]

* Based on your experience/insight, can you think of some timeframe, say 5
years, 10 years down the line, Quantum chemical methods would play a major
role in the area of lead identification/optimization, or would you
say "prediction of future is difficult!".

I look forward to reading your views. Thanks.

S. Parthiban
Jubilant Biosys Ltd.
http://www.jubilantbiosys.com
Received on 2002-11-29 - 21:23 GMT