Abstract:
Virtual screening of novel anti-HIV agents presenting potential peptidomimetics of cellular receptor CD4 was carried out and evaluation of their inhibitory activity was performed by molecular modeling tools. As a result, five chemical compounds exhibiting, with the designed data, a high affinity to the CD4-binding site of the HIV-1 gp120 protein, which is a functionally conserved epitope of the viral envelope, were identified. In this context, the selected compounds are considered as potential broad-spectrum HIV-1 entry inhibitors.
Citation:
I. A. Kashyn, A. V. Tuzikov, A. M. Andrianov, “Virtual Screening of Novel Hiv-1 Entry Inhibitors Blocking Cd4-Binding Site of the Virus Envelope Gp120 Protein”, Mat. Biolog. Bioinform., 9:2 (2014), 359–372
\Bibitem{KasTuzAnd14}
\by I.~A.~Kashyn, A.~V.~Tuzikov, A.~M.~Andrianov
\paper Virtual Screening of Novel Hiv-1 Entry Inhibitors Blocking Cd4-Binding Site of the Virus Envelope Gp120 Protein
\jour Mat. Biolog. Bioinform.
\yr 2014
\vol 9
\issue 2
\pages 359--372
\mathnet{http://mi.mathnet.ru/mbb197}
\crossref{https://doi.org/10.17537/2014.9.359}
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https://www.mathnet.ru/eng/mbb197
https://www.mathnet.ru/eng/mbb/v9/i2/p359
This publication is cited in the following 3 articles:
A. M. Andrianov, G. I. Nikolaev, Yu. V. Kornoushenko, Khuang Dzh., Dzyan Sh., A. V. Tuzikov, “In silico identifikatsiya vysokoaffinnykh ligandov belka gp120 VICh-1 – potentsialnykh peptidomimetikov neitralizuyuschego antitela N6”, Matem. biologiya i bioinform., 14:2 (2019), 430–449
A. M. Andrianov, G. I. Nikolaev, I. A. Kashin, A. V. Tuzikov, “Razrabotka potentsialnykh ingibitorov VICh-1 metodami in silico klik-khimii i molekulyarnogo modelirovaniya”, Matem. biologiya i bioinform., 13:2 (2018), 507–525
I. A. Kashin, A. V. Tuzikov, A. M. Andrianov, “Identifikatsiya novykh potentsialnykh ingibitorov belka gp41 VICh-1 metodami virtualnogo skrininga i molekulyarnogo modelirovaniya”, Matem. biologiya i bioinform., 10:2 (2015), 325–343
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