PMC:7247521 / 31632-32967 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7247521","sourcedb":"PMC","sourceid":"7247521","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7247521","text":"M3 (Fig. 8A), a specific compound in formulae MXSG, showed eight interactions with E protein [ion channel] including Pi-sigma, Pi-alkyl and Alkyl, which were connected with TYR 57, ALA 32, ILE 46 and PRO 54, etc.; additionally, M3 (Fig. 8B) showed five interactions with nsp13 [Helicase NCB site] including Unfavorable Donor-Donor, Pi-alkyl and Alkyl, which were connected with ASN 559, ARG 409, LEU 42 and PRO 406. S1 (Fig. 8C), a specific compound in formulae SGMH, showed seven interactions with nsp13 [Helicase ADP site] including H-bond interactions, van der waals, Amide-Pi stacked and Pi-alkyl, which were connected with ALA 313, ASP 374, GLN 537 and SER 289, etc.; additionally, S1 (Fig. 8D) showed five interactions with PLpro including Pi-anion, Pi-Pi stacked, Pi-Pi T-shaped and Pi-alkyl, which were connected with TYR 264, ASP 164, TYR 268 and PRO 248. X2 (Fig. 8E), a specific compound in formulae XCH, showed seven interactions with Mpro including H-bond interactions, Pi-Donor hydrogen bond and Pi-alkyl, which were connected with MET 165, GLU 166, LEU 141 and CYS 145, etc. O2 (Fig. 8F), a specific compound in formulae Others, showed seven interactions with Mpro including H-bond interactions, Carbon hydrogen bond, Pi-anion, Pi-sulfur and Pi-alkyl, which were connected with MET 131, GLY 71, LEU 100 and CYS 115, 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