Lead expansion and virtual screening of Indinavir derivate HIV-1 protease inhibitors using pharmacophoric - shape similarity scoring function.
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ABSTRACT:
SUBMITTER: Shityakov S
PROVIDER: S-EPMC2957763 | biostudies-literature | 2010 Jan
REPOSITORIES: biostudies-literature
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Lead expansion and virtual screening of Indinavir derivate HIV-1 protease inhibitors using pharmacophoric - shape similarity scoring function.
Shityakov Sergey S Dandekar Thomas T
Bioinformation 20100120 7
Indinavir (Crivaxan®) is a potent inhibitor of the HIV (human immunodeficiency virus) protease. This enzyme has an important role in viral replication and is considered to be very attractive target for new antiretroviral drugs. However, it becomes less effective due to highly resistant new viral strains of HIV, which have multiple mutations in their proteases. For this reason, we used a lead expansion method to create a new set of compounds with a new mode of action to protease binding site. 130 ...[more]
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