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Exploring the flap dynamics of the South African HIV subtype C protease in presence of FDA-approved inhibitors: MD study.

Chemical biology & drug design - 1 Nov 2018

Maphumulo Siyabonga I, Halder Amit K, Govender Thavendran, Maseko Sibusiso, Maguire Glenn E M, Honarparvar Bahareh, Kruger Hendrik G

Abstract excerpt

HIV-1 protease (HIV PR) is considered as one of the most attractive targets for the treatment of HIV and the impact of flap dynamics of HIV PR on the binding affinities of protease inhibitors (PIs) is a crucial ongoing research field. Recently, our research group evaluated the binding affinities of different FDA approved PIs against the South African HIV-1 subtype C (C-SA) protease (PR). The CSA-HIV PR displayed...

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PMID: 30003668
DOI: 10.1111/cbdd.13364

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