PMC:7247521 / 32968-35288 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":"MS1 (Fig. 9 A), a compound in formulae MXSG and SGMH, showed eleven interactions with N protein NCB site including H-bond interactions, Pi-Donor hydrogen bond, Pi-sigma, Pi-Pi stacked and Pi-alkyl, which were connected with SER 51, THR 109, ALA 50 and PRO 42, etc.; additionally, MS1 (Fig. 9B) showed five interactions with nsp14 [ExoN] including H-bond interactions and Pi-Pi stacked, which were connected with GLU 92, PHE 190, ASP 273 and VAL 91, etc. MX16 (Fig. 9C), a compound in formulae MXSG and XCH, showed seven interactions with nsp15 [endoribonuclease] including H-bond interactions, Alkyl and Pi-alkyl, which were connected with PRO 343, VAL 275, LYS 344 and SER 293, etc. SX1 (Fig. 9D), a compound in formulae SGMH and XCH, showed two interactions with nsp14 [N7-MTase] including Pi-Pi stacked and Pi-alkyl, which were connected with PHE 426; additionally, SX1 (Fig. 9E) showed five interactions with nsp15 [endoribonuclease] including H-bond interactions, Alkyl and Pi-alkyl, which were connected with LYS 344, LYS 289, VAL 291 and PRO 343. WO1 (Fig. 9F), a compound in formulae WLS and Others, showed seven interactions with nsp16 [2′-O-MTase] including H-bond interactions, Carbon hydrogen bond, Pi-Pi T-shaped, Pi-alkyl and Pi-anion, which were connected with PHE 149, CYS 115, ASP 99 and SER 74, etc.; additionally, WO1 (Fig. 9G) showed seven interactions with nsp12 [RdRp without RNA] including H-bond interactions, Carbon hydrogen bond, Unfavorable Donor-Donor, Pi-cation and Pi-anion, which were connected with THR 556, ARG 553, ASP 623 and SER 682, etc. XO1 (Fig. 9H), a compound in formulae XCH and Others, showed ten interactions with nsp12 [RdRp with RNA] including H-bond interactions, Pi-Donor hydrogen bond, Pi-Pi T-shaped and Pi-alkyl, which were connected with CYS 813, GLY 590, LYS 593 and ASP 865, etc.\nFig. 9 Schematic (3D and 2D) representation that molecular model of common compounds of the five formulae with COVID-19 proteins. A: MS1 and N protein NCB site, B: MS1 and nsp14 [ExoN], C: MX16 and nsp15 [endoribonuclease], D: SX1 and nsp14 [N7-MTase], E: SX1 and nsp15 [endoribonuclease], F: WO1 and nsp16 [2′-O-MTase], G: WO1 and nsp12 [RdRp without RNA], H: XO1 and nsp12 [RdRp with RNA]. MS: MXSG and SGMH, MX: MXSG and XCH, SX: SGMH and XCH, WO: WLS and Others, XO: XCH and 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