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GC-MS and Molecular Docking Analyses of Lophira lanceolata for Hepatitis Therapeutics


Authors : Francis Ojochogwu Omale; Nkpabo Thomas Ogbiji; Ugwu ifeanyi Solomon

Volume/Issue : Volume 11 - 2026, Issue 4 - April


Google Scholar : https://tinyurl.com/25ufnwu6

Scribd : https://tinyurl.com/edmzkycd

DOI : https://doi.org/10.38124/ijisrt/26apr525

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Abstract : Hepatitis which is a liver disorder is among the serious health challenges. However, current approaches used in the treatment of hepatitis and other liver disorders has some limitations and side effects. Lophira lanceolata Tiegh. ex. Keay (Ochnaceae) [L. lanceolata] is one of the plants often used in the treatment of liver disorders, though not fully proven scientifically. This study aimed to evaluate the methanol leaf extract of L. lanceolata for its hepatitis therapeutic potentials. The specific objective of the study was to identify and evaluate the compounds from the leaves of L. lanceolata with hepatoprotective potentials. Molecular docking and GC-MS analyses were used to test the potential of the compounds for direct hepatitis treatment. The leaves were cut, air dried, and pulverized. The pulverized leaves (1 kg) were cold macerated with methanol (100%) for 48hrs and filtered. The filtrate was concentrated using a rotary evaporator at 40 oC under reduced pressure, to obtain the methanol leaf extract (ME). The characterization of the bioactive constituents of L. lanceolata was analyzed using an Agilent HP-7890A Gas Chromatograph. The ME was subjected to Gas Chromatography-Mass Spectrometry (GC-MS). The unknown GC-MS peak value and chromatogram were compared with those from the Universität Düsseldorf Library database. Molecular docking simulation was performed using three target proteins responsibly for inflammation, oxidative stress, and hepatitis. The GC-MS analysis of the ME revealed the presence of pharmacological compounds and docking assay of the ME shows anti-inflammatory, antioxidant and anti-hepatitis compound than Silymarin. Drug-likeness evaluation demonstrated that most of the compounds conform to Lipinski’s rule of five, hence they are good oral drug candidates for hepatitis. This study concludes that L. lanceolata used in treating liver disorders contains compounds with potential therapy against hepatitis.

Keywords : GC-MS Analysis, Lophira lanceolata, Molecular Docking, Hepatitis

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Hepatitis which is a liver disorder is among the serious health challenges. However, current approaches used in the treatment of hepatitis and other liver disorders has some limitations and side effects. Lophira lanceolata Tiegh. ex. Keay (Ochnaceae) [L. lanceolata] is one of the plants often used in the treatment of liver disorders, though not fully proven scientifically. This study aimed to evaluate the methanol leaf extract of L. lanceolata for its hepatitis therapeutic potentials. The specific objective of the study was to identify and evaluate the compounds from the leaves of L. lanceolata with hepatoprotective potentials. Molecular docking and GC-MS analyses were used to test the potential of the compounds for direct hepatitis treatment. The leaves were cut, air dried, and pulverized. The pulverized leaves (1 kg) were cold macerated with methanol (100%) for 48hrs and filtered. The filtrate was concentrated using a rotary evaporator at 40 oC under reduced pressure, to obtain the methanol leaf extract (ME). The characterization of the bioactive constituents of L. lanceolata was analyzed using an Agilent HP-7890A Gas Chromatograph. The ME was subjected to Gas Chromatography-Mass Spectrometry (GC-MS). The unknown GC-MS peak value and chromatogram were compared with those from the Universität Düsseldorf Library database. Molecular docking simulation was performed using three target proteins responsibly for inflammation, oxidative stress, and hepatitis. The GC-MS analysis of the ME revealed the presence of pharmacological compounds and docking assay of the ME shows anti-inflammatory, antioxidant and anti-hepatitis compound than Silymarin. Drug-likeness evaluation demonstrated that most of the compounds conform to Lipinski’s rule of five, hence they are good oral drug candidates for hepatitis. This study concludes that L. lanceolata used in treating liver disorders contains compounds with potential therapy against hepatitis.

Keywords : GC-MS Analysis, Lophira lanceolata, Molecular Docking, Hepatitis

Paper Submission Last Date
30 - April - 2026

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