千葉工業大学 / 応用化学科 / 山本研究室
計算化学で生命・物質・環境・教育の問題解決
投稿:21-10-27

尾島 彩夏, CBI学会 (2021)

題名

Dynamic residue interaction network analysis of secondary mutations in protease that promote drug resistance in HIV-1

学会

CBI学会 2021年大会, オンライン, ポスター発表, P02-02

発表者

尾島 彩夏 / Mohini Yadav / 山本 典史

概要

The human immunodeficiency virus (HIV) is the pathogen of the Acquired Immune Deficiency Syndrome (AIDS). AIDS has become a disease that can be controlled in the long term by anti-HIV drugs. However, there are serious concerns about the emergence of viral mutants that are resistant to anti-HIV drugs. Some amino acid mutations in HIV-1 protease promotes development of drug resistance caused by primary mutations, even without directly affecting drug efficacy against anti-HIV drugs. These mutations are referred to as “secondary mutations”. In this study, we investigated the dynamic correlation between the drug binding site and its secondary mutation site in HIV-1 protease using dynamic residue interaction network (dRIN) analysis based on molecular dynamics simulations.

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