Construction of a HIV-1 subtype C 3D model using homology modeling and in-silico docking, molecular dynamics simulation, and MM-GBSA calculation of second-generation HIV-1 maturation inhibitor(s)

Author:

K C Yuvraj1,Pal Sapna2,Nitz T. J.3,Wild Carl3,Gaur Ritu1

Affiliation:

1. Faculty of Life Sciences and Biotechnology, South Asian University, New Delhi, India

2. Bioinformatics centre, National Institute of Immunology, New Delhi, India

3. DFH Pharma, Gaithersburg, MD, USA

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Reference49 articles.

1. “AIDSinfo | UNAIDS.”. (n.d). https://aidsinfo.unaids.org/.

2. Polymorphisms in Gag spacer peptide 1 confer varying levels of resistance to the HIV- 1maturation inhibitor bevirimat

3. New Small-Molecule Inhibitor Class Targeting Human Immunodeficiency Virus Type 1 Virion Maturation

4. A Method to Identify Protein Sequences That Fold into a Known Three-Dimensional Structure

5. Case, D. A., Betz, R. M., Cerutti, D. S., Cheatham, T., Darden, T., Duke, R. E., Giese, T. J., Gokhlke, H., Götz, A. W., Homeyer, N., Izadi, S., Janowski, P. A., Kaus, J., Kovalenko, A., Lee, T. S., LiGrand, S., Li, P., Lin, C., Luchko, T. … & Kollman, P. A. (2016). Amber 16. University of California. https://doi.org/10.13140/RG.2.2.27958.70729

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