GC-MS ANALYSIS AND IN-SILICO ADMET ANALYSIS OF THE AQUEOUS METHANOL LEAF EXTRACT OF ISODON TERNIFOLIUS (D. DON) KUDO
AbstractMedicinal plants contain phytocompounds which are of medicinal value. Scientific evaluation of these compounds that may serve as potential drugs is important in validating the medicinal plants. The leaf extract of the medicinal plant, Isodon ternifolius (D. Don) Kudo was prepared by the maceration method using 80% aqueous methanol as the extraction solvent. The resulting extract was subjected to gas chromatography-mass spectrometry (GC-MS) analysis. The mass spectra of all the major phytocompounds obtained were compared with the standard mass spectra found in the NIST and Wiley libraries, and the phytocompounds were identified. All these identified phytocompounds were characterized biocomputationally with respect to their pharmacologically relevant physicochemical properties, viz. molecular weight, number of heavy atoms, number of heavy aromatic atoms, fraction Csp3, rotatable bond, hydrogen bond acceptor, hydrogen bond donor, molar refractivity and topological polar surface area. Further, drug-likeness, bioavailability, and ADMET properties of each of the phytocompounds were also characterised. The results obtained may be useful in further in-vitro and in-vivo experimentation that might lead to the discovery of drugs from the concerned traditional medicinal plant.
Article Information
57
3166-3195
1926 KB
323
English
IJPSR
Gopeshor Singh Yumnam, Kunjeshwori Devi Sanjenbam *, Kiranbala Devi Hijam, Babeeta Chanu Shamjetshabam, Langlen Meinam, Sobhachandra Singh Wayenbam, Kabita Sanjenbam and Rupachandra Singh Laishram
Laboratory of Protein Biochemistry, Department of Biochemistry, Manipur University, Canchipur, Imphal, India.
kdsanjenbam@yahoo.com
12 October 2022
24 May 2023
24 November 2022
10.13040/IJPSR.0975-8232.14(6).3166-95
01 June 2023
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