Investigating potency of TMC-126 against wild-type and mutant variants of HIV-1 protease: a molecular dynamics and free energy study-Reference-Cited by-同舟云学术

Investigating potency of TMC-126 against wild-type and mutant variants of HIV-1 protease: a molecular dynamics and free energy study

Published:2021-11-02 Issue:11 Volume:32 Page:941-962
ISSN:1062-936X
Container-title:SAR and QSAR in Environmental Research
language:en
Short-container-title:SAR and QSAR in Environmental Research

Author:

Sk M.F.¹^ORCID,Haridev S.²,Roy R.¹^ORCID,Kar P.¹^ORCID

Affiliation:

1. Department of Biosciences and Biomedical Engineering, Indian Institute of Technology Indore, Indore, India

2. Department of Physics, Indian Institute of Technology Indore, Indore, India

Funder

Department of Science and Technology, Ministry of Science and Technology

Department of Biotechnology, Ministry of Science and Technology

Publisher

Informa UK Limited

Subject

Drug Discovery,Molecular Medicine,General Medicine,Bioengineering

Link

https://www.tandfonline.com/doi/pdf/10.1080/1062936X.2021.1999318

Reference75 articles.

1. Joint United Nations Programme on HIV/ AIDS, Report on the Global HIV/AIDS Epidemic, Geneva, Switzerland, UNAIDS, 2020. Available at: https://www.unaids.org/en/resources/fact-sheet

2. Three-dimensional structure of aspartyl protease from human immunodeficiency virus HIV-1

3. Hydrophobic Sliding: A Possible Mechanism for Drug Resistance in Human Immunodeficiency Virus Type 1 Protease

4. Insights into effect of the Asp25/Asp25ʹ protonation states on binding of inhibitors Amprenavir and MKP97 to HIV-1 protease using molecular dynamics simulations and MM-GBSA calculations

5. HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations

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