Polyherbal Extracts as Antibacterial Agents: Phytochemical Profiling,  MIC Assessment and in silico Targeting of Resistance Proteins

K.S. Shanmugam; Ramkumar Lakshmanan; Ponmurugan Karuppiah; Manivannan Govindasamy; Jagadeesan Ramasamy

doi:10.14233/ajchem.2026.34470

Issue

Vol. 38 No. 1 (2026): Vol 38 Issue 1, 2026

Issue Published : 31 December 2025

This work is licensed under a Creative Commons Attribution 4.0 International License.

Polyherbal Extracts as Antibacterial Agents: Phytochemical Profiling, MIC Assessment and in silico Targeting of Resistance Proteins

https://doi.org/10.14233/ajchem.2026.34470

K.S. Shanmugam

Department of Microbiology, K.S. Rangasamy College of Arts and Science (Autonomous), KSR Kalvi Nagar, Tiruchengode, Namakkal-637215, India

https://orcid.org/0000-0002-7343-1704

Ramkumar Lakshmanan

Department of Microbiology, K.S. Rangasamy College of Arts and Science (Autonomous), KSR Kalvi Nagar, Tiruchengode, Namakkal-637215, India

https://orcid.org/0000-0002-4927-3582

Ponmurugan Karuppiah

Department of Botany and Microbiology, College of Science, King Saud University, PO Box 2455, Riyadh 11451, Saudi Arabia

https://orcid.org/0000-0002-5131-0274

Manivannan Govindasamy

Research Unit, Department of Psychiatry, Saveetha Medical College and Hospital, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai-602105, India

https://orcid.org/0000-0001-5485-9070

Jagadeesan Ramasamy

Department of Horticulture, ICAR-KVK, Virinjipuram, Tamil Nadu Agricultural University, Vellore-632104, India

https://orcid.org/0000-0003-4454-5910

Corresponding Author(s) : Ramkumar Lakshmanan

lakshmananram75@gmail.com

Asian Journal of Chemistry, Vol. 38 No. 1 (2026): Vol 38 Issue 1, 2026
Article Published : 31 December 2025

Abstract

This research explores the use of polyherbal extracts from Eclipta prostrata, E. alba and Tridax procumbens as a potent antibacterial solution, reflecting their significant role in contemporary medicine. Through gas chromatography-mass spectrometry (GC-MS) analysis, 45 distinct chemical compounds were identified in the ethanol extract, with the ethyl acetate extract revealing 35 different compounds. The chemical profiles of these compounds revealed substantial structural diversity and several demonstrated noteworthy antibacterial potential. The minimum inhibitory concentration (MIC) values against various bacterial strains indicated effective antibacterial activity, particularly against E. coli and P. mirabilis, with MICs as low as 6.25 µg/mL. The study emphasized three compounds, including 6-acetyl-5-(4-fluorophenyl) purine, for their potential in drug development, attributed to their chemical properties such as the ability to form hydrogen bonds and favourable solubility and lipophilicity. These findings underscore the therapeutic potential of polyherbal formulations, highlighting their value in addressing bacterial infections. The docking study demonstrates that 6-(3-fluorobenzylamino) purine exhibits a strong affinity towards ompC, murA and ESBL proteins through various interactions, indicating its potential as an inhibitory agent against drug-resistant proteins in the Enterobacteriaceae family. The positive docking scores across different proteins and interaction types underscore the compound’s versatility and potential effectiveness in combating antibiotic resistance. Further research could validate these in silico findings and explore the clinical applicability of such compounds in treating drug-resistant infections.

Keywords

Polyherbal extract Bioactive compounds Lipophilicity Molecular docking Antibacterial activity

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Shanmugam, K.; Lakshmanan, R.; Karuppiah, P.; Govindasamy, M.; Ramasamy, J. Polyherbal Extracts As Antibacterial Agents: Phytochemical Profiling, MIC Assessment and in Silico Targeting of Resistance Proteins. ajc 2025, 38, 195-201.

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H. Kulkarni and U. Ghate, Int. J. Biomed. Clin. Res., 3, 1 (2025); https://doi.org/10.59657/2997-6103.brs.25.056

B. Patwardhan and R.A. Mashelkar, Drug Discov. Today, 14, 804 (2009); https://doi.org/10.1016/j.drudis.2009.05.009

M.I. Hutchings, A.W. Truman and B. Wilkinson, Curr. Opin. Microbiol., 51, 72 (2019); https://doi.org/10.1016/j.mib.2019.10.008

S. Lakhera, M. Rana, K. Devlal, I. Celik and R. Yadav, Struct. Chem., 33, 703 (2022); https://doi.org/10.1007/s11224-022-01882-7

U. Anand, N. Jacobo-Herrera, A. Altemimi and N. Lakhssassi, Metabolites, 9, 258 (2019); https://doi.org/10.3390/metabo9110258

R. Yadav, R.K. Khare and A. Singhal, Int. J. Life. Sci. Sci Res., 3, 844 (2017).

M.A. Loza-Mejía, J.R. Salazar and J.F. Sánchez-Tejeda, Biomolecules, 8, 121 (2018); https://doi.org/10.3390/biom8040121

D. Timalsina and H.P. Devkota, Biomolecules, 11, 1738 (2021): https://doi.org/10.3390/biom11111738

R. Jahan, A. Al-Nahain, S. Majumder and M. Rahmatullah, Int. Schol. Res. Notices, 2014 385969 (2014): https://doi.org/10.1155/2014/385969

Y. Andriana, T.D. Xuan, T.N. Quy, T.N. Minh, T.M. Van and T.D. Viet, Foods, 8, 21 (2019); https://doi.org/10.3390/foods8010021

E.A. Cano, R.E. Afloro, C. Ancheta, E.W. Angeles, M.A. Barrion, N.A. Bico, B.A. Calabon and P.D. Cantor, Int. J. Biosci., 24, 76 (2024); https://doi.org/10.12692/ijb/24.3.76-92

T.V. Surendra, S.M. Roopan, M.V. Arasu, N.A. Al-Dhabi and M. Sridharan, J. Photochem. Photobiol. B, 161, 463 (2016); https://doi.org/10.1016/j.jphotobiol.2016.06.013

A.W. Bauer, W.M. Kirby, J.C. Sherris and M. Turck, Am. J. Clin. Pathol., 45(4_ts), 493 (1966); https://doi.org/10.1093/ajcp/45.4_ts.493

S. Mundada and R. Shivhare, Int. J. Pharmacol. J. Technol. Res., 2, 2 (2010).

J.M. Sasikumar, T. Thayumanavan, R. Subashkumar, K. Janardhanan and P.L. Perumalsamy, J. Nat Prod Res, 6, 34 (2007).

R. Tambe, A. Patil, P. Jain, J. Sancheti, G. Somani and S. Sathaye, Pharm. Biol., 55, 264 (2017); https://doi.org/10.1080/13880209.2016.1260597

C. Wiart, S. Mogana, S. Khalifah, M. Mahan, S. Ismail, M. Buckle, A.K. Narayana and M. Sulaiman, Fitoterapia, 75, 68 (2004); https://doi.org/10.1016/j.fitote.2003.07.013

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L. Jayaraman, S. Shivaji and S. Anandakumar, Rasayan J. Chem., 15, 676 (2022); https://doi.org/10.31788/RJC.2022.1516754

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M.K. Pandey, G.N. Singh, R.K. Sharma and S. Lata, J. Appl. Pharm. Sci., 1, 104 (2011).

R.K. Sharma, S. Bibi, H. Chopra, M.S. Khan, N. Aggarwal, I. Singh, S.U. Ahmad, M.M. Hasan, M. Moustafa, M. Al-Shehri, A. Alshehri, and A. Kabra, Evid. Based Complement. Alternat. Med., 2002, 3290790 (2022); https://doi.org/10.1155/2022/3290790

U. Rasool, A. Parveen and S.K. Sah, BMC Complement. Altern. Med., 18, 244 (2018); https://doi.org/10.1186/s12906-018-2312-8

M. Masi and J.M. Pagès, Open Microbiol. J., 7, 22 (2013); https://doi.org/10.2174/1874285801307010022

Author biographies is not available.