GC-MS analysis of an ethanolic extract of Ocimum species: a network pharmacology analysis insight towards obesity

Abstract

Aim: In this study, we have selected two different Ocimum tenuiflorum plants, Ocimum tenuiflorum (Rama tulsi) (OTRT) and Ocimum tenuiflorum (Krishna tulsi) (OTKT). Materials & methods: In the present investigation, ethanol was used as a solvent to estimate the bioactive compounds present in it through gas chromatography-mass spectrometry (GC–MS). Results: Based on the GC-MS data benzenepropanoic acid, 3-methoxy-alpha,4-bis[(trimethylsilyl)oxy was found to be the potent compound in OTRT (MW:428.74 g/mol) and methyl 3-(4-benzyloxy-3,5-dimethoxyphenyl)-2-methylpropanoate in OTKT (MW:342.39 g/mol). To estimate its pharmacological application, an integrated Network Pharmacology approach is performed toward the disease target obesity. Conclusion: From the Protein–Protein interaction from the string database, SRC, BCL2, EGFR, MTOR, CDK1, ERBB2, MAPK1, FYN, AR and MAPK14 are the top-ranked targets.

Isolation of 6-gingerol and semi-synthesis of 1,4-benzodiazepines derivatives: An in-situ pharmacokinetics properties, molecular docking and molecular dynamics simulation assessments

“…Protein topology was built using the CHARMM27 force field in pdb2gmx, and ligand topology was produced via the SwissParam server. ( Sabarathinam and Ganamurali, 2023 , Gnanamurthy et al, 2024 ).…”