ArticleBMC genomics2014
Impact of M36I polymorphism on the interaction of HIV-1 protease with its substrates: insights from molecular dynamics.
Article in BMC genomics, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- Premature Activation of the HIV-1 Protease Is Influenced by Polymorphisms in the Hinge Region.Viruses · 2024Article
- Structural and Molecular Dynamics ofACS infectious diseases · 2021Article
- Characterization of a large cluster of HIV-1 A1 infections detected in Portugal and connected to several Western European countries.Scientific reports · 2019Article
- A decade of viral mutations and associated drug resistance in a population of HIV-1+ Puerto Ricans: 2002-2011.PloS one · 2017Article
- QwikMD - Integrative Molecular Dynamics Toolkit for Novices and Experts.Scientific reports · 2016Article
- "The molecule's the thing:" the promise of molecular modeling and dynamic simulations in aiding the prioritization and interpretation of genomic testing results.F1000Research · 2016Article
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Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
backgroundOver the last decades, a vast structural knowledge has been gathered on the HIV-1 protease (PR). Noticeably, most of the studies focused the B-subtype, which has the highest prevalence in developed countries. Accordingly, currently available anti-HIV drugs target this subtype, with considerable benefits for the corresponding patients.
resultsHerein, we used molecular dynamics simulations to investigate the role of this polymorphism on the interaction of PR with six of its natural cleavage-sites substrates.
conclusionsWith multiple approaches and analyses we identified structural and dynamical determinants associated with the changes found in the binding affinity of the M36I variant. This mutation influences the flexibility of both PR and its complexed substrate. The observed impact of M36I, suggest that combination with other non-B subtype polymorphisms, could lead to major effects on the interaction with the 12 known cleavage sites, which should impact the virion maturation.
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