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Computational Analysis of Reverse Transcriptase Resistance to Inhibitors in HIV-1
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Author(s): Ameeruddin Nusrath Unissa (National Institute for Research in Tuberculosis (NIRT), India)and Luke Elizabeth Hanna (National Institute for Research in Tuberculosis (NIRT), India)
Copyright: 2018
Pages: 20
Source title:
Big Data Analytics in HIV/AIDS Research
Source Author(s)/Editor(s): Ali Al Mazari (Alfaisal University, Saudi Arabia)
DOI: 10.4018/978-1-5225-3203-3.ch001
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Abstract
Reverse transcriptase (RT) is a vital enzyme in the process of transcription of HIV-1. The nucleoside analogues of RT inhibitors (NRTIs) act by substrate competition and chain termination as they resemble a nucleotide. To understand the basis of RT resistance in HIV-1, in this chapter, one of the clinically essential mutants Q151M of RT which exhibits multi-resistance to many NRTIs was modeled and docked with NRTIs in comparison to wild type (WT). The results of docking indicate that the WT showed high affinity with all inhibitors compared to the mutant (MT). It can be suggested that the high affinity in WT could be attributed to the favorable interactions with all inhibitors that lacks in MT due to amino acid substitution that leads to structural changes in MT protein, which alters the favorable network of interaction and eventually imparts resistance to all inhibitors.
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