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<p>The current investigation examined the phytochemical components via gas chromatography-mass spectrometry (GC–MS), assessment of antioxidant potency and evaluation of antibacterial efficiency in the leaves, fruit, bark and flower of <i>Pyrus pashia</i> collected from the Himalayan region of Bageshwar, Uttarakhand, India. GC–MS analysis of <i>Pyrus pashia</i>, methanolic bark extract revealed 24 constituents contributing 93.98% of the total extract and chloroform fruit extract revealed 31 constituents contributing 94.60% of the total extract. In hexane flower extract, 25 constituents contributed 97.27% of the total extract and hexane fruit extract, 32 constituents were identified as contributing 93.08% of the total extract. The major constituents identified in the <i>Pyrus pashia</i> 9,12-octadecadienoic acid (Z,Z)-methyl ester, lupeol, stearyl palmitate, friedelan-3-one, tetracontane, Hexacosane, lup-20(29)-en-3-one, hexadecanoic acid, octadecyl ester as major constituents. Overall it can be concluded that in methanol extract of PPMBE, showed strong DPPH radical scavenging activity with IC range (28.95 + 0.46&#xa0;μg/ml) as compared with chloroform and hexane extract. Hexane flower extract ((IC<sub>50</sub> = 602.85 ± 11.60&#xa0;μg/ml) µg/ml) and chloroform flower extracts (IC<sub>50</sub> = 833.44 ± 4.93&#xa0;μg/ml) of <i>Pyrus pashia</i> exhibited maximum metal chelating activity. Antibacterial activity was evaluated against two gram-positive bacteria (<i>Bacillus subtilis</i> and <i>Staphylococcus aureus</i>) as well as two gram-negative bacteria (<i>Salmonella typhi</i> and <i>Escherichia coli</i>). All the extracts showed good anti-bacterial activity against all tested bacterial cultures however less than the standard (Amikacin). To interpretation of the molecular mechanism of antibacterial action <i>In-silico</i> molecular docking was used. Molecular docking was performed using major phytochemical of <i>Pyrus pashia</i> and bacterial membrane protein OmpF (PDB ID: 4KR4) from <i>Salmonella typhi.</i></p> Graphical Abstract <p></p>

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Antioxidant, Antibacterial and Molecular Docking Study of Pyrus pashia Buch.-Hamilton ex D. Don from Himalayan Region

  • 期刊论文

  • 发表日期：

    2025年8月5日

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  • Kamal Singh Koranga,
  • Arun,
  • Vijay Kumar Juyal,
  • Shishir Tandon,
  • Mansi,
  • Moenuddin,
  • Viveka Nand

摘要

The current investigation examined the phytochemical components via gas chromatography-mass spectrometry (GC–MS), assessment of antioxidant potency and evaluation of antibacterial efficiency in the leaves, fruit, bark and flower of Pyrus pashia collected from the Himalayan region of Bageshwar, Uttarakhand, India. GC–MS analysis of Pyrus pashia, methanolic bark extract revealed 24 constituents contributing 93.98% of the total extract and chloroform fruit extract revealed 31 constituents contributing 94.60% of the total extract. In hexane flower extract, 25 constituents contributed 97.27% of the total extract and hexane fruit extract, 32 constituents were identified as contributing 93.08% of the total extract. The major constituents identified in the Pyrus pashia 9,12-octadecadienoic acid (Z,Z)-methyl ester, lupeol, stearyl palmitate, friedelan-3-one, tetracontane, Hexacosane, lup-20(29)-en-3-one, hexadecanoic acid, octadecyl ester as major constituents. Overall it can be concluded that in methanol extract of PPMBE, showed strong DPPH radical scavenging activity with IC range (28.95 + 0.46 μg/ml) as compared with chloroform and hexane extract. Hexane flower extract ((IC50 = 602.85 ± 11.60 μg/ml) µg/ml) and chloroform flower extracts (IC50 = 833.44 ± 4.93 μg/ml) of Pyrus pashia exhibited maximum metal chelating activity. Antibacterial activity was evaluated against two gram-positive bacteria (Bacillus subtilis and Staphylococcus aureus) as well as two gram-negative bacteria (Salmonella typhi and Escherichia coli). All the extracts showed good anti-bacterial activity against all tested bacterial cultures however less than the standard (Amikacin). To interpretation of the molecular mechanism of antibacterial action In-silico molecular docking was used. Molecular docking was performed using major phytochemical of Pyrus pashia and bacterial membrane protein OmpF (PDB ID: 4KR4) from Salmonella typhi.

Graphical Abstract