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Phytochemical study on the leaves of Trianthema decandra leads to the isolation and characterization of two compounds from chloroform extract. The compounds were characterized using HPLC, UV, FT-IR, NMR, LCMS and CHNS. The structure of compounds were elucidated from spectral data and named according to rules laid down in IUPAC nomenclature. A novel sterol was named as 17-(5-ethyl-6-methylheptan-2-yl) -4, 4, 10, 13-tetramethyl-hexadecahydro-1H-cyclopenta (α) phenanthren-3-ol and the flavonoid was named as 2-(3, 4 dihydroxy - phenyl)-3, 5, 7 - trihydroxy-chromen-4 one. The antimicrobial activity of sterol and flavonoid isolated from T. decandra were examined by disc diffusion and broth dilution assays. The isolated compounds showed excellent activity against all the tested microorganisms. Sterol exhibits MIC value of 39.05 μg/ml against S. typhi whereas flavonoid shows 78.10 μg/ml against V. cholerae. The plausible mode of action of these compounds was studied using in silico molecular docking with Penicillin Binding Protein (PBP) as target., (Copyright © 2018 Elsevier Ltd. All rights reserved.)

The natural product flavonoid demonstrates an extensive sort of pharmacological properties including antimicrobial activity. Although its Pseudomonas aeruginosa inhibition has been discovered, no target for action against flavonoid has been revealed to date. The anti - P. aeruginosa activity of the 2 - (3', 4' dihydroxy-phenyl) - 3, 5, 7-trihydroxy-chromen-4-one isolated from T. decandra was evaluated by disc diffusion and minimum inhibitory concentration methods. The molecular docking of the flavonoid isolated from T. decandra was carried out using CDOCKER (Discovery Studio 2.0). The flavonoid isolated from T. decandra was found to inhibit the growth of P. aeruginosa and the zone of inhibition was found to be 22 ± 0.04 mm at 20 μg/ml while chloramphenicol showed 23 ± 0.05 mm at 30 μg/ml. P. aeruginosa was found to be the most sensitive to both isolated flavonoid and standard control chloramphenicol with MIC values 39.05 μg/ml and 25 μg/ml respectively. Further, the FAS II β-hydroxyacyl-ACP (FabZ) of P. aeruginosa was found to be a potential target of the flavonoid as it docked in silico effectively. Our work has demonstrated the anti - P. aeruginosa activity of flavonoid isolated from T. decandra and also resulted in the elucidation of a plausible mechanism of action of the isolated flavonoid by inhibiting the FabZ using in silico analysis., (Copyright © 2018 Elsevier Ltd. All rights reserved.)