Physicochemical, ADMET Profiling and Anti-TB potential of Afzelin and Quercitrin derived from Euphorbia hirta L.

Downloads

Download the Article:

Authors

  • Rashmi School of Science, The Glocal University, Mirzapur Pole, Saharanpur, Uttar Pradesh 247121, India
  • Awadhesh Kumar School of Science, The Glocal University, Mirzapur Pole, Saharanpur, Uttar Pradesh 247121, India
  • Mohd Yusuf School of Science, The Glocal University, Mirzapur Pole, Saharanpur, Uttar Pradesh 247121, India https://orcid.org/0000-0003-0927-8490
https://doi.org/10.55559/jess.v2i1.648

Keywords:

Phytomedicine, In-Silico study, Natural product, Anti-TB drugs

Abstract

Over the past few years, there has been an increased interest among scientists and researchers globally to discover alternative sources of sustainable materials to satisfy the development of ecosystems based on human factors, safety, versatility, efficacy, and environmental compatibility. In the present work, we investigated physicochemical, ADMET Profiling and Anti-TB potential of Afzelin and Quercitrin derived from Euphorbia hirta L. (PDB:6ACA). To assess the ADMET analysis and antidiabetic properties, in silico approach was used. The results have shown that the targeted drug molecules showed very good ADMET profiling and remarkable anti-TB ability and can be considered as novel therapeutic agent for TB cure after further clinical studies.

References

Huang, X., Lowrie, D.B., Fan, X.Y. and Hu, Z., 2024. Natural products in anti-tuberculosis host-directed therapy. Biomedicine & Pharmacotherapy, 171, 116087. https://doi.org/10.1016/j.biopha.2023.116087 DOI: https://doi.org/10.1016/j.biopha.2023.116087

Pai M, Behr MA, Dowdy D, Dheda K, Divangahi M, Boehme CC, et al. Tuberculosis. Nat Rev Dis Primers. 2016 Oct 27;2:16076. https://doi.org/10.1038/nrdp.2016.76 DOI: https://doi.org/10.1038/nrdp.2016.76

Mallamma T, Raghavendra NN, Goudanavar P. Spray dried linezolid-loaded inhalable chitosan microparticles for tuberculosis: a qbd-driven approach to enhance pulmonary delivery. Biomed Mat Dev. 2024 Dec 5:1-3. https://doi.org/10.1007/s44174-024-00253-6 DOI: https://doi.org/10.1007/s44174-024-00253-6

Tiwari, P., Mishra, B.N. and Sangwan, N.S., 2014. Phytochemical and pharmacological properties of Gymnema sylvestre: an important medicinal plant. BioMed research international, 2014(1), p.830285. https://doi.org/10.1155/2014/830285 DOI: https://doi.org/10.1155/2014/830285

Grover JK, Yadav S, Vats V. Medicinal plants of India with anti-diabetic potential. Journal of Ethnopharmacology. 2002;81(1):81–100. DOI: https://doi.org/10.1016/S0378-8741(02)00059-4

Asif, M., Yusuf, M., Almehmadi, M., Alsaiari, A.A., Allahyani, M., Aljuaid, A. and Alsharif, A., 2024. Towards Antiviral Potential of Biomolecules Derived from Adhatoda vasica as Competent Natural Molecules to Treat COVID-19 Virus Variant. Letters in Organic Chemistry, 21(5), pp.466-477. DOI: https://doi.org/10.2174/0115701786263427231123103651

Yusuf, M., Sharma, S., Khan, S.A., Prasad, L. (2023). Current applications of biomolecules as anticoronavirus drugs. Handbook of Biomolecules, Springer, Cham, pp. 355-369. DOI: https://doi.org/10.1016/B978-0-323-91684-4.00004-9

Sharma, D. and Yusuf, M., 2025. Phytochemical Analysis of Gymnema sylvestre and Vigna unguiculata. Journal of Engineering, Science and Sustainability, 1(1), pp.1-7. DOI: https://doi.org/10.55559/jess.v1i1.446

Sharma, D., Yusuf, M. and Asif, M., 2024. Gymnema sylvestre: Phytochemistry, Pharmacology and Economical Perspectives. Journal of Advancement in Pharmacognosy, 4(2), pp.78-90.

Yusuf, M., Pal, S., Shahid, M., Asif, M., Khan, S.A., Tyagi, R. (2023). Docking and ADMET Study of ArTurmerone: Emerging Scaffold for Acetylcholine Esterase Inhibition and Antidiabetic Target. Journal of Applied Organometallic Chemistry, 3(1), 1-11.

Kumar, S., Malhotra, R. and Kumar, D., 2010. Euphorbia hirta: Its chemistry, traditional and medicinal uses, and pharmacological activities. Pharmacognosy reviews, 4(7), 58. DOI: https://doi.org/10.4103/0973-7847.65327

Khursheed, A. and Jain, V., 2022. Euphorbia hirta as a gold mine of high-value phytochemicals: A comprehensive review of its pharmacological activities and possible role against SARS-CoV-2. Biomedical Research and Therapy, 9(2), 4930-4949. DOI: https://doi.org/10.15419/bmrat.v9i2.728

Hall, L.M., Booker, H., Siloto, R.M., Jhala, A.J. and Weselake, R.J., 2016. Flax (Linum usitatissimum L.). In Industrial oil crops (pp. 157-194). AOCS Press. DOI: https://doi.org/10.1016/B978-1-893997-98-1.00006-3

Coşkuner, Y. and Karababa, E., 2007. Some physical properties of flaxseed (Linum usitatissimum L.). Journal of food Engineering, 78(3), pp.1067-1073. DOI: https://doi.org/10.1016/j.jfoodeng.2005.12.017

Kauser, S., Hussain, A., Ashraf, S., Fatima, G., Javaria, S., Abideen, Z.U., Kabir, K., Yaqub, S., Akram, S., Shehzad, A. and Korma, S.A., 2024. Flaxseed (Linum usitatissimum); phytochemistry, pharmacological characteristics and functional food applications. Food Chemistry Advances, 4, p.100573. DOI: https://doi.org/10.1016/j.focha.2023.100573

Jadhao, R.B., Parveen, K.K. and Yusuf, M., 2024. Therapeutic Perspective of Natural Alkaloids in Cervical Cancer Management. Jabirian Journal of Biointerface Research in Pharmaceutics and Applied Chemistry, 1(1), pp.01-07. DOI: https://doi.org/10.55559/jjbrpac.v1i01.203

Shahid, M., Ahmad, A., Yusuf, M., Khan, M.I., Khan, S.A., Manzoor, N. and Mohammad, F., 2012. Dyeing, fastness and antimicrobial properties of woolen yarns dyed with gallnut (Quercus infectoria Oliv.) extract. Dyes and Pigments, 95(1), pp.53-61. https://doi.org/10.1016/j.dyepig.2012.03.029 DOI: https://doi.org/10.1016/j.dyepig.2012.03.029

Yusuf, M., Aijaz, M., Keserwani, N., Ansari, N.H. and Ahmad, S., 2022. Ethnomedicinal, Pharmacological and Commercial Perspectives of Laccifer lacca Body Exudate (LBE). Lett. Appl. NanoBioSci., 12, pp.1-10. DOI: https://doi.org/10.33263/LIANBS121.021

Yusuf, M. (2021). Cellulose-Based Nanomaterials for Water Pollutant Remediation. In: Kharissova O, Martínez L, Kharisov B, Handbook of Nanomaterials and Nanocomposites for Energy and Environmental Applications, Cham; Springer, pp. 213-228. https://doi.org/10.1007/978-3-030-36268-3_17 DOI: https://doi.org/10.1007/978-3-030-36268-3_17

Xiong, G., Wu, Z., Yi, J., Fu, L., Yang, Z., Hsieh, C., Yin, M., Zeng, X., Wu, C., Lu, A. and Chen, X., 2021. ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic Acids Research, 49(W1), pp.W5-W14]. DOI: https://doi.org/10.1093/nar/gkab255

Yusuf, M. (2023). Insights into the in-silico research: Current scenario, advantages, limits, and future perspectives. Life in Silico, 1(1), 13-25.

Liu, Y., Grimm, M., Dai, W.T., Hou, M.C., Xiao, Z.X. and Cao, Y., 2020. CB-Dock: a web server for cavity detection-guided protein–ligand blind docking. Acta Pharmacologica Sinica, 41(1), pp.138-144. DOI: https://doi.org/10.1038/s41401-019-0228-6

Sharma, D. and Yusuf, M., 2024. In Silico Docking Analysis of Bioactive Phytoconstituents for Targeting Glucose Transporters. Jabirian Journal of Biointerface Research in Pharmaceutics and Applied Chemistry, 1(5), pp.16-21.

Almehmadi, M.M., Halawi, M., Kamal, M., Yusuf, M., Chawla, U. and Asif, M., 2022. Antimycobacterial Activity of Some New Pyridinylpyridazine Derivatives. Latin American Journal of Pharmacy, 41(7), pp.1428-1432

Yusuf, M., Abdulaziz, O., Aljuaid, A., Allahyani, M., Almehmadi, M., Alzahrani, A.Y.A., Verma, S. and Asif, M., 2025. Molecular docking studies of synthesized pyridazinone scaffolds as non-nucleoside reverse transcriptase inhibitors (NNRTIs). Polycyclic Aromatic Compounds, 45(3), pp.376-389. DOI: https://doi.org/10.1080/10406638.2024.2407565

Yusuf, M., Khan, S.A., 2023. Assessment of ADME and in silico Characteristics of Natural-Drugs from Turmeric to Evaluate Significant COX2 Inhibition. Biointerface Research in Applied Chemistry 13 (1), 1-23

Douglas E. V. Pires & David B. Ascher. Journal of Chemical Information and Modeling, v. 60(7), p. 3450-3456, 2020. DOI: https://doi.org/10.1021/acs.jcim.0c00362

Aljuaid, A., Abdulaziz, O., Allahyani, M., Almehmadi, M., Alzahrani, A.Y.A., Verma, S., Yusuf, M. and Asif, M., 2024. In Silico and ADMET Studies of Spiro-Quinazoline Compounds as Acetylcholine Esterase Inhibitors Against Alzheimer’s Disease. CNS & Neurological Disorders-Drug Targets. https://doi.org/10.2174/0118715273315412241009092249 DOI: https://doi.org/10.2174/0118715273315412241009092249

M Yusuf, SA Khan, 2023. Assessment of ADME and in silico Characteristics of Natural-Drugs from Turmeric to Evaluate Significant COX2 Inhibition. Biointerface Research in Applied Chemistry 13 (1), 1-23. DOI: https://doi.org/10.33263/BRIAC131.005

Yusuf, M., Rani, S., Chawla, U., Baindara, P., Siddique, S.A., Nirala, K. and Asif, M., 2022. Modern perspectives on adiponectin: targeting obesity, diabetes, and cancer together using herbal products. Biointerface Research in Applied Chemistry, 13(2), pp.1-16. DOI: https://doi.org/10.33263/BRIAC132.136

Aijaz, M., Keserwani, N., Yusuf, M., Ansari, N.H., Ushal, R. and Kalia, P., 2022. Chemical, biological, and pharmacological prospects of caffeic acid. Biointerface Res Appl Chem, 13, p.324. DOI: https://doi.org/10.33263/BRIAC134.324

Yusuf, M., 2023. Insights into the in-silico research: current scenario, advantages, limits, and future perspectives. Life in Silico, 1(1), pp.13-25.

Sharma, D. and Yusuf, M., 2024. In Silico Docking Analysis of Bioactive Phytoconstituents for Targeting Glucose Transporters. Jabirian Journal of Biointerface Research in Pharmaceutics and Applied Chemistry, 1(5), pp.16-21. DOI: https://doi.org/10.55559/jjbrpac.v1i5.428

Almehmadi, M.M., Halawi, M., Kamal, M., Yusuf, M., Chawla, U. and Asif, M., 2022. Antimycobacterial Activity of Some New Pyridinylpyridazine Derivatives. Latin American Journal of Pharmacy, 41(7), pp.1428-1432.

Yusuf, M., Shabbir, M. and Mohammad, F., 2017. Natural colorants: Historical, processing, and sustainable prospects. Natural products and bioprospecting, 7(1), pp.123-145. DOI: https://doi.org/10.1007/s13659-017-0119-9

Yusuf, M. and Shahid, M. eds., 2025. Biotechnology Approaches in Textile Technology: Progress and Trends. CRC Press. DOI: https://doi.org/10.1201/9781003677840

Yusuf, M., 2025. Sustainable pigments and colorants. In Sustainable Additives in Polymer Technology (pp. 35-61). Elsevier. DOI: https://doi.org/10.1016/B978-0-443-23806-2.00012-9

Shahid, M. and Yusuf, M., 2025. Sustainability in Textile Finishing: An Introduction to Current Challenges and Innovations. In Sustainable Finishing Techniques in Textiles (pp. 283-293). Singapore: Springer Nature Singapore. DOI: https://doi.org/10.1007/978-981-96-4860-3_14

Published on: 07-06-2026

Also Available On

Note: Third-party indexing sometime takes time. Please wait one week or two for indexing. Validate this article's Schema Markup on Schema.org

How to Cite

Rashmi, Kumar, A., & Yusuf, M. (2026). Physicochemical, ADMET Profiling and Anti-TB potential of Afzelin and Quercitrin derived from Euphorbia hirta L. Journal of Engineering, Science and Sustainability, 2(1), 20–27. https://doi.org/10.55559/jess.v2i1.648
3107-474X