PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 33850236-0 2021 Author Correction: Catechin and curcumin interact with S protein of SARS-CoV2 and ACE2 of human cell membrane: insights from computational studies. Catechin 19-27 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 55-56 33302853-0 2021 Silybin B and Cianidanol Inhibit M pro and Spike Protein of SARS-CoV-2: Evidence from in Silico Molecular Docking Studies. Catechin 14-24 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 43-48 33386025-5 2021 Further, the molecular interactions determined by molecular dynamics simulation revealed that among the 75 drug molecules, catechin can effectively bind to 3CLpro, CTSL, RBD of S protein, NSP6 and nucleocapsid protein. Catechin 123-131 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 166-167 32770567-6 2021 In the current study we demonstrated by bioinformatics (CASTp: computed atlas of surface topography of protein, PyMol: molecular visualization) and molecular docking (PatchDock and Autodock) experiments that tea flavonoids catechin products mainly epigallocatechin gallate or other like theaflavin gallate demonstrated higher atomic contact energy (ACE) value, binding energy, Ki value, ligand efficiency, surface area and more amino acid interactions than hydroxychloroquine (HCQ) during binding in the central channel of the spike protein. Catechin 223-231 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 527-532 33479401-0 2021 Catechin and curcumin interact with S protein of SARS-CoV2 and ACE2 of human cell membrane: insights from computational studies. Catechin 0-8 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 36-37 33479401-4 2021 It is evident from the present computational study, that catechin and curcumin, not only exhibit strong binding affinity to viral S Protein and host receptor ACE2 but also to their complex (receptor-binding domain (RBD) of the spike protein of SARS-CoV2 and ACE2; RBD/ACE2-complex). Catechin 57-65 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 130-131 33479401-4 2021 It is evident from the present computational study, that catechin and curcumin, not only exhibit strong binding affinity to viral S Protein and host receptor ACE2 but also to their complex (receptor-binding domain (RBD) of the spike protein of SARS-CoV2 and ACE2; RBD/ACE2-complex). Catechin 57-65 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 227-232 33479401-8 2021 Contrary to this, catechin binds with amino acid residues present near the RBD site of S Protein and causes fluctuation in the amino acid residues of the RBD and its near proximity. Catechin 18-26 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 87-88 33479401-10 2021 Protein-protein interaction studies in presence of curcumin or catechin also corroborate the above findings suggesting the efficacy of these two polyphenols in hindering the formation of S Protein-ACE2 complex. Catechin 63-71 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 187-188 33479401-5 2021 The binding affinity values of catechin and curcumin for the S protein, ACE2 and RBD/ACE2-complex are - 10.5 and - 7.9 kcal/mol; - 8.9 and - 7.8 kcal/mol; and - 9.1 and - 7.6 kcal/mol, respectively. Catechin 31-39 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 61-62 34147855-9 2021 METHOD: In this study, we performed molecular docking of different catechins with the wild and mutant variants of the spike protein of SARS-CoV-2. Catechin 67-76 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 118-123 34147855-11 2021 RESULTS: The in-silico studies show that the catechins form favourable interactions with the spike protein and can potentially impair its function. Catechin 45-54 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 93-98