id author title date pages extension mime words sentences flesch summary cache txt cord-336585-19vwpjkt Adem, Şevki Caffeic acid derivatives (CAFDs) as inhibitors of SARS-CoV-2: CAFDs-based functional foods as a potential alternative approach to combat COVID-19 2020-08-22 .txt text/plain 3578 210 46 Based upon these results, we have screened a library of caffeic acid derivatives (CAFDs) (Figure 1 ) for the identification of novel natural anti-COVID-19 compounds against various SARS-CoV-2 drug targets including COVID-19 M pro (6LU7), SARS-CoV-2 S2 subunit (6LXT), Nsp15 endoribonuclease (6VWW), SARS-CoV-2 spike ectodomain open state structure (6VYB), and SARS-CoV-2 spike closed state glycoprotein structure (6VXX). Our results present in silico-based identification of khainaoside C, 6-O-Caffeoylarbutin, khainaoside B, khainaoside C and vitexfolin A as potent modulators of COVID-19 M pro , Nsp15, coronavirus fusion protein, spike open state and closed state structure respectively. Based on these in-silico results, khainaoside C, calceolarioside B, vitexfolin A, calceolarioside C and scrophuloside B exhibited best binding potential with COVID-19 virus Figure 2B represents residual wise van der Waals interactions, piNelfinavir which possess MolDock score of -148.413 The interactions of these compounds with amino acid residues of target protein are shown in Figure 3A . ./cache/cord-336585-19vwpjkt.txt ./txt/cord-336585-19vwpjkt.txt