2023

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Browsing 2023 by Author "AMNA MAHBOOB"

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    Study of antimicrobial activity and molecular docking of phytochemicals in conocarpus erectus and ficus carica
    (UMT Lahore, 2023-07-04) ABU BAKAR AFAAN; KAINAT; MUHAMMAD ABBAS; AMNA MAHBOOB
    Bacterial infections have appeared as the most prevalent infections among all affecting the community worldwide. The increased antibiotic resistance brought the requirement of other treatment methods resulting in using medicinal plants to treat such infections. In our research work, Ficus carica and Conocarpus erectus antimicrobial activity was checked against different bacterial strains. Antimicrobial efficacy was estimated by using Agar disk diffusion method. Antioxidant effect of its all extracts was estimated by DPPH assay. ADMET properties of Ficus carica and Conocarpus erectus phytochemicals were checked by bioinformatics tools SwissADME and Protox. Only 12 phytochemicals from Conocarpus erectus and 19 phytochemicals from Ficus carica expressed the drug like similarities. These phytochemicals were docked against four microbial proteins, D-ALA ligase and DNA gyrase subunit b from E. coli, Aminotransferase and Dihydrofolate Reductase (DHFR) from staphylococcus aureus via CB dock and their binding affinities were evaluated. The target receptor structure sourced from the protein Data Bank (PDB). In total 31 phytochemicals were docked with 4 microbial proteins in order to identify the effectiveness of inhibition of a particular protein by a specific phytochemical which can lead to drug development. This study demonstrated that methanol and ethanol extract inhibited the all bacterial strains while Conocarpus erectus methanol extract of shoot showed maximum inhibition activity and Ficus Carica leaf extract shows highest antimicrobial activity. Moreover, extracts (methanolic and ethanolic) of both plant parts show maximum inhibition activity while computational study demonstrated that all of the phytochemicals have inhibitory effect against selected bacterial targets by different binding affinities. The ADMET properties of Ficus carica and Conocarpus erectus phytochemicals and their binding to the bacterial proteins elucidate that they have effective inhibitory potential.