In silico analysis of resveratrol induced PD-L1 dimerisation

نویسندگان

چکیده

T-cell activation through the blockade of PD-1 – PD-L1 interactions is recognised at present as one most promising strategies in cancer treatment and a number antibodies targeting immune checkpoint pathway have been approved after successful clinical trials. However, use suffers from shortcomings including poor tissue tumor penetration, long half-life time, oral bioavailability, expensive production costs. Small molecule based therapeutic approaches offer potential to address antibody-based inhibitors. At present, more than twenty small molecular inhibitors whose scaffold on substituted biphenyl group connected further aromatic ring benzyl ether bond identified patented by Bristol Mayers Squibb (USA). Structural studies shown that all these compounds act inducing dimerisation makes non-competent for forming complex with PD-1. Very recently, dietary polyphenol resveratrol (RSV) has reported inhibit induction but mechanisms remain unclear. Here, computational structural biology tools combining protein ligand docking dynamics simulations were used gain insights into RSV-induced PD-L1.

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ژورنال

عنوان ژورنال: Žurnal Belorusskogo gosudarstvennogo universiteta

سال: 2021

ISSN: ['2663-7294', '2521-6821']

DOI: https://doi.org/10.33581/2521-1722-2021-1-39-47