Phytochemical And In Silico Prediction On A Medicinal Tree Vitex Negundo For Antimicrobial Potential
Keywords:
Vitex negund, antimicrobial activity, phytochemicals, in silicom molecular dockingAbstract
The main aim of this study was to look at the plant chemicals and antibacterial effects of Vitex negundo (VN1) in its usual form and its different version. In traditional medicinal systems and local/folk medicine, Kali Nirgundi is commonly used in place of the species' typical form due to its strong antibacterial and anti-rheumatic/anti-inflammatory qualities. Tests were carried out to ascertain the variations in the phytochemical components and their activity in both the standard form and variant to bolster local knowledge and offer scientific proof. We extracted the powdered leaf components from both varieties using aqueous, ethanol, chloroform, and pet-ether extracts. The following list of chemical compounds is documented. Alkaloids, steroids, tannins, saponins, glycosides, triterpenoids, and flavonoids are all present in VN1 and VN2. The only apparent glycosides and flavonoids in VN1 are not present in the aqueous and chloroform extracts, in contrast to VN2. We tested the antibacterial activity using the disk-diffusion method with nutritional agar medium and four different microorganisms. VN2 exhibited strong inhibitory activity against each isolate in the extract. This might be as a result of the presence of chemicals known as flavonoids and glycosides in the VN2. Molecular docking studies showed more proof of the differences in the types and amounts of phytochemicals in the species because of different geographic areas and environmental changes.
Downloads
Metrics
References
Karakoti H, Mahawer SK, Tewari M, Kumar R, Prakash O, de Oliveira MS, Rawat DS. Phytochemical profile, in vitro bioactivity evaluation, in silico molecular docking and ADMET study of essential oils of three Vitex species grown in Tarai Region of Uttarakhand. Antioxidants. 2022 Sep 27;11(10):1911.
Gouthami K, Veeraraghavan V, Nagaraja P. In-silico characterization of phytochemicals identified from Vitex negundo (L) extract as potential therapy for Wnt-signaling proteins. Egyptian Journal of Medical Human Genetics. 2022 Dec;23:1-5.
Koirala N, Dhakal C, Munankarmi NN, Ali SW, Hameed A, Martins N, Sharifi-Rad J, Imran M, Arif AM, Hanif MS, Basnyat RC. Vitex negundo Linn.: phytochemical composition, nutritional analysis, and antioxidant and antimicrobial activity. Cellular and Molecular Biology. 2020 Jun 25;66(4):1-7.
Okoli BJ, Eltayb WA, Gyebi GA, Ghanam AR, Ladan Z, Oguegbulu JC, Abdalla M. In silico study and excito-repellent activity of Vitex negundo L. Essential oil against Anopheles gambiae. Applied Sciences. 2022 Jul 26;12(15):7500.
Sharma E, Gaur N, Singh S, Mathur K, Kumar K, Wahi N, Garg G. Extraction optimization of bioactive compounds from Vitex negundo through RSM: GC–MS, FTIR, in silico analysis, and antibacterial activity. Journal of Plant Biochemistry and Biotechnology. 2025 Apr 22:1-8.
Meena AK, Perumal A, Kumar N, Singh R, Ilavarasan R, Srikanth N, Dhiman KS. Studies on physicochemical, phytochemicals, chromatographic profiling & estimation and in-silico study of Negundoside in roots & small branches of Vitex Negundo plant. Phytomedicine Plus. 2022 Feb 1;2(1):100205.
Anusha D, Sharanya S, David DC. Anticancer Screening of the Phytochemicals Present in the Medicinal Plant Vitex Negundo Against Mutant Anaplastic Lymphoma Kinase (ALK) Protein: An In-Silico Approach. Biomedical and Pharmacology Journal. 2019 Jun 25;12(2):993-1000.
Nadeem M, Mumtaz MW, Danish M, Rashid U, Mukhtar H, Irfan A. Antidiabetic functionality of Vitex negundo L. leaves based on UHPLC-QTOF-MS/MS based bioactives profiling and molecular docking insights. Industrial crops and products. 2020 Sep 15;152:112445.
Sharanya M, Satishkumar R. In silico screening of phytocompounds of Vitex negundo Linn. leaves for fungal chitinase. J Sci Technol. 2015;3(1):1-0.
Nataraja BT, Dharmalingam S, Keservani RK, Gupta AK, Pulipati S, Bhor RJ, Singh AK, Singh SK, Boddeda B. Silver Nanoparticle Formulation Development and Evaluation: In-Vitro Anti-Microbial Evidences. JCHR. 2023;13(3):1389-96.
Arya RK, Sati D, Bisht D, Keservani RK. Nanotechnology-Based Bacterial Immunotherapy. InNutraceuticals and Functional Foods in Immunomodulators 2023 Jan 1 (pp. 3-19). Singapore: Springer Nature Singapore.
Surana KR, Jadhav PS, Shewale HS, Wagh DB, Mahajan SK, Musale JV. Insilico and Biological Evaluation of Anti-Inflammatory Activity of synthesized Benzimidazoles Derivatives. Biosciences Biotechnology Research Asia. 2024 Sep 30;20(3):1241-53.
DEVI SS, ANuSHA D, KArtHIKA K, RAMASAMY K. In-silico and In-vitro Evaluation of Acetylcholinesterase Activity of Methanolic Extract of Vitex negundo. Journal of Clinical & Diagnostic Research. 2024 Sep 1;18(9).
Sonawane PR, Sonawane SN, Aher SN, Surana KR, Patil VR, Mahajan SK, Patil DM. In silico Evaluation of Anti-Inflammatory Potential of Pyrimidine based Molecules. Adv. Biores. 2024;15(4):197-206.
Kabilan SJ, Kunjiappan S, Sundar K, Pavadai P, Sathishkumar N, Velayuthaperumal H. Pharmacoinformatics-based screening of active compounds from Vitex negundo against lymphatic filariasis by targeting asparaginyl-tRNA synthetase. Journal of Molecular Modeling. 2023 Apr;29(4):87.
Parthasarathy S, Keservani RK, Kesharwani RK, Bhise MR, Arya RK, Pawar SS, Jaiswal M, Ahire ED. A systematic review on the novel drug delivery system in the development of antimicrobial drug.
Aher SN, Sonawane SN, Sonawane PR, Surana KR, Mahajan SK, Patil DM. Insilico Drug Design, Synthesis and Evaluation of Anti-inflammatory Activity Pyrimidine Analogue. Biosciences Biotechnology Research Asia. 2024 Jul 1;21(2):741-53.
Alijala S, Nambigari N, Munigela VR, Kante N. Comparative Phytochemical, Antimicrobial And Molecular Docking Studies On A Medicinal Tree Vitex negundo var. negundo And Its Intraspecific Variant “Kali Nirgundi”.
Uvaraja VC, Keservani RK, Maurya NK, Pendakur B, Adhoni SA. Formulation and development of gel with essential oils and effect of polymer on their antimicrobial activity. Biochem. Cell. Arch. 2024 Oct 1;24:0000-.
Nallusamy, S., Mannu, J., Ravikumar, C., Angamuthu, K., Nathan, B., Nachimuthu, K., Ramasamy, G., Muthurajan, R., Subbarayalu, M. and Neelakandan, K., 2021. Exploring phytochemicals of traditional medicinal plants exhibiting inhibitory activity against main protease, spike glycoprotein, RNA-dependent RNA polymerase and non-structural proteins of SARS-CoV-2 through virtual screening. Frontiers in Pharmacology, 12, p.667704.
Kouman KC, Kouassi AF, Fagnidi YKH, Fofana I, Allangba KNPG, KéitaM, MegnassanE. Virtual design of novel of orally bioavailable piperazine inhibitors of enoyl-acyl carrier protein reductase of Mycobacterium tuberculosiswith favorable pharmacokinetic profiles. Universal Journal of Pharmaceutical Research 2024; 9(5): 91-104.http://doi.org/10.22270/ujpr.v9i5.121
AWofisayo O. In silicoantimalarial target selection conserved in four Plasmodiumspecies.Universal Journal of Pharmaceutical Research 2020; 5(4):27-31.https://doi.org/10.22270/ujpr.v5i5.48
Ajmal S, Khan S. In silicoligand-based 2D pharmacophore generation for H+/K+ATPase inhibitors. Universal Journal of Pharmaceutical Research.2017; 2(4): 29-35.http://doi.org/10.22270/ujpr.v2i4.R7
Krishnamoorth S, Muthusamy S, Ramamurthy VA. Larvicidal activity and molecular docking studies of Vitexicarpin from Vitex negundo Linn. Journal of Young Pharmacists. 2021;13(3):223.
Surana KR, Mahajan SK. In silico study of chromane ring compound rubranonoside from Plumeria rubra as anticancer potential. Trends in Sciences. 2022 Nov 18;19(24):3305-.
Gouthami K, Veeraraghavan V, Lavanya L, Prashantha CN. Molecular docking studies for Vitex negundo (L) leaf extract compounds against Wnt-signalling proteins towards the treatment of colon cancer. Chemical Data Collections. 2022 Apr 1;38:100829.
Okoli BJ, Ladan Z, Mtunzi F, Hosea YC. Vitex negundo L. Essential oil: odorant binding protein efficiency using molecular docking approach and studies of the mosquito repellent. Insects. 2021 Nov 26;12(12):1061.
Azzouni D, Alaoui Mrani S, Bahij F, Zejli H, Alanazi MM, Fadili D, El Moussaoui A, Mahmoud AM, Taleb M. Comprehensive Phytochemical, Antioxidant, and Antibacterial Analysis of Vitex agnus-castus L. Essential Oil (VACEO): Insights from ADMET and Molecular Docking Studies. Pharmaceuticals. 2025 Mar 25;18(4):462.
Van Vo G, Nguyen TP, Nguyen HT, Nguyen TT. In silico and in vitro studies on the anti-cancer activity of artemetin, vitexicarpin and penduletin compounds from Vitex negundo. Saudi Pharmaceutical Journal. 2022 Sep 1;30(9):1301-14.
Bléhoué IC, Koné M, Esmell EA, Fofana I,KéïtaM, MegnassanE. Molecular modelling and virtual screening application to the computer-aided design of anticancer inhibitors with a favorable pharmacokinetic profile againstE6 papillomavirus type 16. Universal Journal of Pharmaceutical Research 2024; 9(5): 51-67.http://doi.org/10.22270/ujpr.v9i5.1198
El-Behairy MF, Fayed MAA, Ahmed RM, Abdallah IA.Computational drug reproposing to Identify SARS-CoV-2 Mpro Inhibitors: Molecular Docking, ADMET analysis, and in-silico/in-vitrotoxicity study. Universal Journal ofPharmaceutical Research 2022; 7(5):23-31.https://doi.org/10.22270/ujpr.v7i5.837
Awofisayo O. Insilico identification of target palindromic genes as potential drug targets in breast cancer therapy. Universal Journal of Pharmaceutical Research 2020; 5(5):1-3.https://doi.org/10.22270/ujpr.v5i5.47
Nitin Chopde, Rasika Manoj Rewatkar, Ghanshyam M Chavan, S. Subathra, Ritismita Devi, Hari V, Pravin S. Uttekar, Shruti Rathore, Syam Prasad Sura, (2025) Design and Optimization of Targeted Nanoparticles for Delivery of Quercetin from Allium Cepa for Treatment of Colorectal Cancer. Journal of Neonatal Surgery, 14 (12s), 208-218.
Rewatkar, RM. Patil, ARB, Bagde, A. A comprehensive evaluation of data analysis approaches for predicting colorectal cancer, AIP Conference Proceedings 3188 (1), 100094
Rewatkar, RM, Gayatri Thakre, Dnyaneshwar Iptekar, Kapil Biradar, Geethashree Devi Patha Pati, Mahesh Parsutkar, Enhancing Crime Detection: A CCTV Video Based Surveillance System, 2023, 17.
Rewatkar, RM., A Music Recommendation System Using Collaborative Based Filtering Technique In Data Mining Approach, International Scientific Journal of Engineering and Management, Volume 2, Issue 04, 1-2.
Rewatkar, RM., An Intelligent Waste Classification System for Sustainable Resource Management Using Machine Learning, International Journal of Progressive Research in Engineering Management and Science, Volume 3, Issue 10, Pages 373-377.
Rewatkar, RM, Empowering Online Safety with Advanced Comment Toxicity Detection Using Machine Learning, International Journal of Progressive Research in Engineering Management and Science.
Rewatkar, RM, Enhancing Automatic Timetable Generator Application by Using Advanced Algorithms and User Preferences, Innovative Techniques in Artificial Intelligence and Communication Technologies(TCITAICT 2K24, conference.
Downloads
Published
How to Cite
Issue
Section
License
This work is licensed under a Creative Commons Attribution 4.0 International License.
You are free to:
- Share — copy and redistribute the material in any medium or format
- Adapt — remix, transform, and build upon the material for any purpose, even commercially.
Terms:
- Attribution — You must give appropriate credit, provide a link to the license, and indicate if changes were made. You may do so in any reasonable manner, but not in any way that suggests the licensor endorses you or your use.
- No additional restrictions — You may not apply legal terms or technological measures that legally restrict others from doing anything the license permits.
