COMPOUNDS IDENTIFICATION THROUGH GC-MS, PHARMACOLOGICAL APPLICATIONS; IN-SILICO MOLECULAR DOCKING ANALYSIS AND ANTIMICROBIAL POTENTIAL OF ECLIPTA ALBA

Abstract

The Eclipta alba comes under Asteraceae family, is an yearly herbaceous plant, normally identified as false daisy, used a tonic, diuretic in hepatic, spleen expansion. Current study we focused identify bioactive compounds by GC-MS, pharmacological applications for In-silico molecular docking investigation and antimicrobial activity of various extract of E. alba. In results we done 6 extracts; aqueous (ARSB-01), ethanol (ARSB-02), acetonitrile (ARSB-03), ethyl acetate (ARSB-04), acetone (ARSB-05) and hexane (ARSB-06), in results the GC-MS analysis; 12 compounds were identified in ARSB-01 followed by 10 compounds in ARSB-06, 8 compounds in ARSB-03 and ARSB-05, 7 compounds from ARSB-02, 6 compounds in ARSB-04. propane, 1,2-dimethoxy- was predominant in ARSB-03 and ARSB-04 but was also detected at high (above 90%) levels in ethanol, acetone and hexane extracts, Among the tested organisms, S. aureus was the most susceptible to the acetonitrile and ethyl acetate extracts, both of which produced MIC values of 0.3125 mg/mL. It supports E. alba as a promising source of antimicrobial constituents and demonstrate that solvent selection substantially influences the resulting biological activity. Among the tested extracts, ARSB-03 and ARSB-04 were the most promising candidates. Comp 2 formed a hydrogen-bond interaction and π–π interactions involving TYR147 and TYR157, whereas Comp 1 was predominantly stabilized through π–π interactions with TYR147, TYR157 and PHE204. Hydrogen bonding can contribute to improved orientation and stabilization of a ligand within the active site, while aromatic and hydrophobic interactions, we concluded that from our research selected E. alba potential plant to kill human pathogens, also promising lead antimicrobial drug in future.