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Proceeding Paper

Comparative Studies of Various NNRTIs in the Active Site of Different HIV-1RT Receptors

Department of Pharmaceutical Sciences and Technology, Birla Institute of Technology, Mesra, Ranchi 835215, India
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Presented at the 24th International Electronic Conference on Synthetic Organic Chemistry, 15 November–15 December 2020; Available online: https://ecsoc-24.sciforum.net/.
Academic Editors: Julio A. Seijas and M. Pilar Vázquez-Tato
Published: 14 November 2020
HIV is one of the most deadly viruses known to humans and causes a disease, known as Acquired Immunodeficiency Syndrome (or, AIDS). There are only a handful of drugs which are totally effective against the virus. This is due to the enzyme reverse transcriptase present within the virus. Due to various mutations in the enzyme, the virus becomes unresponsive towards the drugs. In the present study, docking studies of the standard non-nucleoside reverse transcriptase inhibitors were performed in the non-nucleoside inhibitory binding pocket of reverse transcriptase enzymes of wild type and the resistant strains of HIV-1RT virus with PDB IDs 1RT2, 1KLM, 3BGR, and 1JLB, respectively, by using Autodock version 4.5.6. A comparison of different compounds docked into the active site of various HIV-1RT strains was carried out. The obtained results indicate that most of the compounds docked into the active site of the different receptors, such as 1RT2, 1KLM, 3BGR, and 1JLB, with good docking scores, are comparable to that of the internal standard (TNK 651) of the wild type strain of HIV-1 virus. A comparison was made based on the binding modes of the compounds in the active site of all the four receptors.
Keywords: HIV-AIDS; reverse transcriptase; docking; active site; binding mode HIV-AIDS; reverse transcriptase; docking; active site; binding mode
MDPI and ACS Style

Chandra, P.; Ganguly, S.; Karmakar, S. Comparative Studies of Various NNRTIs in the Active Site of Different HIV-1RT Receptors. Chem. Proc. 2021, 3, 33. https://0-doi-org.brum.beds.ac.uk/10.3390/ecsoc-24-08313

AMA Style

Chandra P, Ganguly S, Karmakar S. Comparative Studies of Various NNRTIs in the Active Site of Different HIV-1RT Receptors. Chemistry Proceedings. 2021; 3(1):33. https://0-doi-org.brum.beds.ac.uk/10.3390/ecsoc-24-08313

Chicago/Turabian Style

Chandra, Priyanka, Swastika Ganguly, and Soikata Karmakar. 2021. "Comparative Studies of Various NNRTIs in the Active Site of Different HIV-1RT Receptors" Chemistry Proceedings 3, no. 1: 33. https://0-doi-org.brum.beds.ac.uk/10.3390/ecsoc-24-08313

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