“…The chemical structures of all E. hirta phytochemicals and the control samples (positive and negative) used in molecular docking can be found in the Supplementary Materials. In total, 298 phytochemical Benzenoids/benzene and substituted derivatives 1-(3-aminophenyl)ethanol (Rautela et al,2020) C 8 H 11 NO −4.6 1 -O-butyl 2-O-tetradecyl benzene-1,2-dicarboxylate (Ogunlesi et al,2009) C 26 H 42 O 4 −4.9 benzoic acid (Ali et al,2020) C 7 H 6 O 2 −4.5 benzamide, 3-fluoro-N-butyl-N-ethyl (Rautela et al,2020) C 13 H 18 FNO −4.9 gallic acid (Bach et al,2020;Linfang et al, 2012;Mahomoodally et al,2020;Mekam et al,2019, Suganthi andRavi, 2018;Wu et al,2012) C 7 H 6 O 5 −5.5 ethyl gallate (Mekam et al,2019) C 9 H 10 O 5 −5.7 methyl gallate (Mahomoodally et al,2020) C 8 H 8 O 5 −5.6 protocatechuic acid (Mahomoodally et al,2020) C 7 H 6 O 4 −5.4 1-(3-ethoxyphenyl)propan-2-one (Rautela et al,2020) C 11 H 14 O 2 −5.0 methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate (Perumal and Mahmud, 2013) C 18 H 28 O 3 −6.5 Benzenoid/naphthalene [6-(4-cyanophenyl)naphthalen-2-yl] hexanoate (Rautela et al,2020) C 23 H 21 NO 2 −6.5 Benzenoids/phenols benzene-1,2,3-triol (Karki et al,2019) C 6 H 6 O 3 −4.9 2-tert-butyl-4-methoxyphenol (Rautela et al,2020) C 11 H 16 O 2 −5.1 4-ethenyl-2-methoxyphenol (Rautela et al,2020) C 9 H 10 O 2 −4.7 Benzenoid 1,2-benzenedicarboxylic acid diisooctyl ester (Ogunlesi et al,2009) C 24 H 38 O 4 −5.4 Hydrocarbon/saturated hydrocarbon Tetradecane (Ogunlesi et al,2009) C 14 H 30 −4.2 Hydrocarbon/unsaturated hydrocarbon (E)-pentatriacont-17-ene (Rautela et al,2020) C 35 H 70 −4.4 Lignans, neolignans, and related compounds/aryltetralin lignans Isolintetralin (Zhang et al,2020) C 23 H 28 O 6 −7.1 Lintetralin (Zhang et al,2020) C 23 H 28 O 6 −7.3 Phyltetralin (Zhang et al,2020) C 24 H 32 O 6 −7.0 Hypophyllanthin (Zhang et al,2020) C 24 H 30 O 7 −6.9 Lignans, neolignans, and related compounds/dibenzylbutane lignans Niranthin (Zhang et al,2020) C 24 H 32 O 7 −6.3 5-demethox...…”