Anti-Microbial Activity and GC-MS Profiling of Leaves Extracts of Hyptis suaveolens: In vitro and In silico Studies


Published: 2023-12-06

DOI: 10.56557/upjoz/2023/v44i233795

Page: 335-350

Antu Kurrey *

Department of Botany, Dr. C.V Raman University, Kota, Bilaspur (C.G.), India.

Amit sharma

Department of Botany, Dr. C.V Raman University, Kota, Bilaspur (C.G.), India.

Shishir Tiwari

Department of Botany, Dr. C.V Raman University, Kota, Bilaspur (C.G.), India.

*Author to whom correspondence should be addressed.


Anti-microbial resistance turned into the main source of death universally, bringing about a critical requirement for the development of new, safe, and potent anti-microbial agents. Compounds retrieved from plants can be a fundamental source of new antibiotics. The Hyptis suaveolens plant is rich in anti-microbial phytochemicals. Here, we used the gas chromatography-mass spectrometry (GC-MS) approach for the quantitative and qualitative identification of bioactive compounds in the methanolic extract of Hyptis suaveolens leaves. Subsequently, anti-microbial activity, pharmacokinetics, and toxicological properties were predicted using in silico tools. The methanolic extract of Hyptis suaveolens leaves was found to have anti-microbial activity against all pathogenic strains (Escherichia coli, Staphylococcus aureus, Bacillus subtilis, Pseudomonas aeruginosa, Klebsiella pneumoniae, and Candida albicans). The methanolic crude extract shows the highest zone of inhibition against Candida albicans, Bacillus subtilis, and Staphylococcus aureus. The phytochemical, TLC, UV-VIS, and FTIR analyses represented the maximum absorption and functional groups of phytochemicals. GC-MS analysis revealed the presence of 34 secondary metabolites. In silico studies revealed that megastigmatrienone was the most active compound on dihydrofolate reductase (DHFR) in different organisms. It showed the best minimum binding energy (-6.8 kcal/mol). The methanolic crude extract of Hyptis suaveolens leaves showed powerful anti-microbial action against five types of bacteria and one fungus. Megastigmatrienone was the most bioactive compound, and it passed Lipinski's rule of 5 to determine the drug-likeness properties. Therefore, the compound Megastigmatrienone is further subjected to animal testing and clinical trials for its use as an anti-microbial agent with commercial values.

Keywords: Hyptis suaveolens, In-vitro, phytochemical, TLC, UV-VIS, FTIR, In-silico, molecular docking, megastigmatrienone

How to Cite

Kurrey , A., sharma , A., & Tiwari , S. (2023). Anti-Microbial Activity and GC-MS Profiling of Leaves Extracts of Hyptis suaveolens: In vitro and In silico Studies. UTTAR PRADESH JOURNAL OF ZOOLOGY, 44(23), 335–350.


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Yadav RNS, Agarwala M. Phytochemical analysis of some medicinal plants. Journal of Phytology. 2011;3(12).

Tajkarimi MM, Ibrahim SA, Cliver DO. Antimicrobial herb and spice compounds in food. Food Control. 2010;21(9):1199-1218.

Pandey AK, Kumar S. Perspective on plant products as antimicrobials agents: A review. Pharmacologia. 2013;4(7):469-480.

Davies J, Davies D. Origins and evolution of antibiotic resistance. Microbiology and Molecular Biology Reviews. 2010;74(3):417-433.

Baym M, Stone LK, Kishony R. Multidrug evolutionary strategies to reverse antibiotic resistance. Science. 2016;351(6268): aad3292.

World Health Organization. Antimicrobial resistance: Global report on surveillance. World Health Organization; 2014.

Rasooli I. (Ed.). Phytochemicals: Bioactivities and Impact on Health. BoD–Books on Demand; 2011.

Penesyan A, Kjelleberg S, Egan S. Development of novel drugs from marine surface associated microorganisms. Marine Drugs. 2010;8(3):438-459.

Tortorella E, Tedesco P, Palma Esposito F, January GG, Fani R, Jaspars M, De Pascale D. Antibiotics from deep-sea microorganisms: current discoveries and perspectives. Marine drugs, 2018;16(10): 355.

Khameneh B, Diab R, Ghazvini K, Bazzaz BSF. Breakthroughs in bacterial resistance mechanisms and the potential ways to combat them. Microbial Pathogenesis. 2016;95:32-42.

Yerer MB. Natural Products in Clinical Trials. Multidisciplinary Digital Publishing Institute Proceedings. 2019;40(1):32.

Hostettmann K. Strategy for the biological and chemical evaluation of plant extracts. Pure Appl. Chem. 1999;70(11):1-9.

Lampinen J. Continuous Antimicrobial susceptibility testing in drug discovery. Drug Plus International. 2005;7:1-3.

Savoia D. Plant-derived antimicrobial compounds: alternatives to antibiotics. Future Microbiology. 2012;7(8):979-990.

Rios JL, Recio MC. Medicinal plants and antimicrobial activity. Journal of Ethnopharmacology. 2005;100(1-2):80-84.

Moronkola DO, Adesanwo JK, Aiyelaagbe OO, Faruq UZ. Essential Oil Composition of Three Compositae-Aspillia africana, Chromolaena odorata, Syndrella nodiflora and One Labiatae-Hyptis suaveolens Plants Commonly Utilized as Rabbit Feeds. Journal of Science Research. 2013;12(1): 327-344.

The plant list. The plant list of all plant species, version 1-1. Royal Botanic garden Kew, London; 2013.


Barbosa LCA, Martins FT, Teixeira RR, Polo M, Montanari RM. Chemical Variability and Biological Activities of Volatile Oils from Hyptis suaveolens (L.) Poit. Agriculturae Conspectus Scientificus. 2013;78(1):1-10.

Gadidasu KK, Murthy EN, Nataraj P, Srinivas K, Babu PA, da Silva JAT, Sadanandam A. ISSR markers reveal genetic polymorphism in two morphological variants of Hyptis suaveolens invasive to India. Med Aromat Plant Sci Biotechnol. 2011;5:166-168.

Machado FDF, de Oliveira Formiga R, de Morais Lima GR, de Jesus NZT, Júnior EBA, Marinho AF, Batista LM. Hyptis suaveolens (L.) Poit protects colon from TNBS-induced inflammation via immunomodulatory, antioxidant and anti-proliferative mechanisms. Journal of Ethnopharmacology. 2021;265:113153.

Srivastava A, Patel SP, Mishra RK, Vashistha RK, Singh A, Puskar AK. Ethnomedicinal importance of the plants of Amarkantak region, Madhya Pradesh, India. Int J Med Arom Plants. 2012;2(1):53-59.

Li R, Tang G, Liu X, Li J, Wang D, Ji S. An ethnopharmacological review of Hyptis suaveolens (L.) Poit. Tropical Journal of Pharmaceutical Research. 2020;19(7):1541-1550.

Jesus NZT, Falcão HS, Lima GRM, Caldas Filho MRD, Sales IRP, Gomes IF, Batista LM. Hyptis suaveolens (L.) Poit (Lamiaceae), a medicinal plant protects the stomach against several gastric ulcer models. Journal of Ethnopharmacology. 2013;150(3):982-988.

Alam G, Singh MP, Singh A. Wound healing potential of some medicinal plants. International journal of Pharmaceutical Sciences Review and Research. 2011;9(1): 136-145.

Okonta EO, Onyekere PF, Ugwu PN, Udodeme HO, Chukwube VO, Odoh UE, Ezugwu CO. Pharmacognostic Studies of the Leaves of Hyptis suaveolens Linn. (Labiatae)(Poit). Pharmacognosy Journal. 2021;13(3).

Mishra P, Sohrab S, Mishra SK. A review on the phytochemical and pharmacological properties of Hyptis suaveolens (L.) Poit. Future Journal of Pharmaceutical Sciences. 2021;7(1):1-11.

Mabberley DJ. The Plant-Book. Cambridge University 1. Press, Cambridge; 1990.

Sharma N, Tripathi A. Fungitoxicity of the essential oil of Citrus sinensis on post-harvest pathogens. World Journal of Microbiology and Biotechnology. 2006;22: 587-593.

Singh G, Upadhyay RK, Rao GP. Fungitoxic activity of the volatile oil of Hyptis suaveolens. Fitoterapia-Milano. 1992;63: 462-462.

Asekun OT, Ekundayo O. Essential oil constituents of Hyptis suaveolens (L.) Poit. (bush tea) leaves from Nigeria. Journal of Essential Oil Research. 2000;12(2):227-230.

Edeoga HO, Omosun G, Uche LC. Chemical composition of Hyptis suaveolens and Ocimum gratissimum hybrids from Nigeria. African journal of Biotechnology. 2006;5(10).

Ulhe SK, Narkhede SD. Histological and phytochemical studies on aromatic plant, Hyptis suaveolens (L) of family Lamiaceae (MS) India. Sci Res Rep. 2013; 3(1):44-48.

Priya MD. A review on the pharmacology and phytochemistry of folklore medicinal plant Hyptis suaveolens (L.) Poit. International Journal of Basic, Applied and Innovative Research. 2015;4(4):108-117.

Chatri M, Handayani D, Primayani SA. The effect of Hyptis suaveolens (l.) poit extract on the growth of sclerotium rolfsii with in-vitro. In Journal of Physics: Conference Series. IOP Publishing. 2019, October; 1317(1):012081.

Pham HNT, Sakaff JA, Vuong Q, Von Bowyer MC, Scarlett CJ. Screening of phytochemical content, antioxidants, antimicrobial and cytotoxic activities of Catharanthus roseus (L.) G. Don. Stem extract and its fraction. Biocatal Agric Biotechnol. 2018;16:405–411.

Evans WC. Trease and Evans' pharmacognosy. Elsevier Health Sciences; 2009.

Jesus JA, Lago JHG, Laurenti MD, Yamamoto ES, Passero LFD. Antimicrobial activity of oleanolic and ursolic acids: an update. Evidence-Based Complementary and Alternative Medicine; 2015.

Bachheti RK, Rai I, Joshi A, Satyan RS. Chemical composition and antimicrobial activity of Hyptis suaveolens Poit. seed oil from Uttarakhand State, India. Oriental Pharmacy and Experimental Medicine. 2015;15:141-146.

Nantitanon W, Chowwanapoonpohn S, Okongi S. Antioxidant and antimicrobial activities of Hyptis suaveolens essential oil. Scientia Pharmaceutica (Scipharm) 2007; 75:35–46

Sharma N, Verma UK, Tripathi Abhishek. Bioactivity of essential oil from Hyptis suaveolens against storage mycoflora. In Donahaye, EJ, Navarro S, Bell C, Jayas D ., Noyes, R., Phillips, TW, eds. 2007. Proc. Int. Conf. Controlled Atmosphere and Fumigation in Stored Products, Gold-Coast Australia. 2007;99-116.

Moreira ACP, Lima EDO, Wanderley PA, Carmo ES, Souza ELD. Chemical composition and antifungal activity of Hyptis suaveolens (L.) Poit leaves essential oil against Aspergillus species. Brazilian Journal of Microbiology. 2010;41:28-33.

Sasidharan S, Chen Y, Saravanan D, Sundram KM, Latha LY. Extraction, isolation and characterization of bioactive compounds from plants’ extracts. African Journal of Traditional, Complementary and Alternative Medicines. 2011;8(1).

Payum, T. (2016). GC-MS Analysis of Mussaenda roxburghii Hk. f.: A Folk Food Plant Used Among Tribes Of Arunachal Pradesh, India. Pharmacognosy Journal, 8(4).

Stein SE, Scott DR. Optimization and testing of mass spectral library search algorithms for compound identification. Journal of the American Society for Mass Spectrometry. 1994;5(9):859-866.

Stein SE. Chemical substructure identification by mass spectral library searching. Journal of the American Society for Mass Spectrometry. 1995;6(8):644-655.

Velmurugan G, Anand SP. GC-MS Analysis of bioactive compounds on ethanolic leaf extract of Phyllodium pulchellum L. Desv. International Journal of Pharmacognosy and Phytochemical Research. 2017;9(1):114-118.

Liu RH. Health benefits of fruit and vegetables are from additive and synergistic combinations of phytochemicals. The American Journal of Clinical Nutrition. 2003;78(3):517S-520S.

Sahoo N, Manchikanti P. Herbal drug regulation and commercialization: An Indian industry perspective. The Journal of Alternative and Complementary Medicine. 2013;19(12):957-963.

Bharatam PV. Computer-aided drug design. Drug Discovery and Development: From Targets and Molecules to Medicines. 2021;137-210.

Sliwoski G, Kothiwale S, Meiler J, Lowe EW. Computational methods in drug discovery. Pharmacological Reviews. 2014;66(1):334-395.

Lin X, Li X, Lin X. A review on applications of computational methods in drug screening and design. Molecules. 2020;25(6):1375.

Kapetanovic I. Computer-aided drug discovery and development (CADDD): In silico-chemico-biological approach. Chemico-Biological Interactions. 2008; 171(2):165-176.

McConkey BJ, Sobolev V, Edelman M. The performance of current methods in ligand–protein docking. Current Science. 2002;845-856.

Ghoorah AW, Devignes MD, Smaïl‐Tabbone M, Ritchie DW. Protein docking using case‐based reasoning. Proteins: Structure, Function, and Bioinformatics. 2013;81(12):2150-2158.

Costi MP, Ferrari S. Update on antifolate drugs targets. Current drug targets. 2001; 2(2):135-166.

Jones KE, Patel NG, Levy MA, Storeygard A, Balk D, Gittleman JL, Daszak P. Global trends in emerging infectious diseases. Nature. 2008;451(7181):990-993.

He J, Qiao W, An Q, Yang T, Luo Y. Dihydrofolate reductase inhibitors for use as antimicrobial agents. European Journal of Medicinal Chemistry. 2020;195:112268.