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12.
Modeling of protease inhibitory activity of some hydroxamates using
physico-chemical and topological parameters
Jyoti Singha, Izhar Ahmada, Basheerulla Shaika,
Rajneesh Kumarb, Madhu Guptab, Vijay K Agrawala*,
a*QSAR and
Computer Chemical Laboratories, A.P.S. University, Rewa-486 003,
India
e-mail:
vijay-agrawal@lycos.com,
apsvka@yahoo.co.in
bChemistry
Department MMH PG College,Ghaziabad, India e-mail:
madhuexe@gmail.com
Abstract:
The
log Ki activity of 49 protease inhibitors which are
hydroxamate derivatives have been modeled using physicochemical
parameters along with first order branching parameter. Physico-chemical
parameters combined with topological parameters gave excellent
results. The derived models have been critically examined.
Key words. Hydroxamate derivatives, QSAR, topological indices,
physico-chemical parameters, polarizability.
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