Studies on physicochemical, phytochemicals, chromatographic profiling & estimation and in-silico study of Negundoside in roots & small branches of Vitex Negundo plant

Abstract

Background: Vitex negundo plants beautiful gift of Nature to humankind, and we must conserve for the future. This plant has many uses in Ayurveda, Homeopathy, and Allopathy to treat several diseases like venereal diseases, Urinary problems, cough and fever, asthmatic pain, female reproductive problems. Purpose: This study aimed to perform the comparative phytochemical analysis, chromatographic profiling, and quantification of Negundoside in Vitex negundo root and small branches. We also did in-silico evaluation of Negundoside. Methods: Using cold maceration extraction, Successful soxhlet extraction processes were used to prepare hexane, chloroform, ethyl acetate, and alcoholic extracts. Preliminary phytochemicals perimeters were carried out in both plant parts extract. We performed chromatographic profiling of Vitex negundo by using HPLC, LC-MS and GC-MS. Negundoside in Vitex negundo plant root and small branches were identified and quantified by using HPLC. Results: LC-MS showed similarities in the compounds in ethanol extracts of Vitex negundo root and small branches extracts. Similarlry, GC–MS identified many similar volatile compounds of Vitex negundo root and small branches. The results obtained from HPLC analysis show that root contains 0.0696%, and small branches had 0.3818% of negundoside in Vitex negundo. In molecular docking study of negundoside with cox-2 we found binding energy of −7.2 kcal/mol. Conclusion: As per present study, Vitex negundo plant roots could be replaced by small branches. We found in the comparative study there is very close similarity between roots and small branches suggested the further uses of small branches in place of roots.

Keywords

• Vitex negundo
• Negundoside
• HPLC
• GC–MS
• LC-MS
• Molecular docking