e-ISSN 2231-8526
ISSN 0128-7680
Siti Nur Athirah Mohd Kaspi, Nisha Govender and Zeti-Azura Mohamed-Hussein
Pertanika Journal of Science & Technology, Volume 45, Issue 1, February 2022
DOI: https://doi.org/10.47836/pjtas.45.1.13
Keywords: CoV-2, COVID-19, misai kucing, molecular docking, molecular target, polyphenol, SARS- therapeutics
Published on: 10 Febuary 2022
Cat’s whiskers or the ‘misai kucing’ is an herbal plant native to the Southeast Asian region. The polyphenol enriched leaf extract contains numerous medicinal properties of major pharmaceutical interest. In this study, selected cat’s whiskers polyphenols were screened computationally to predict the minimum binding affinities with severe acute respiratory syndrome coronavirus (SARS-CoV) molecular targets. Molecular docking analysis showed that the caffeic acid derivatives and polymethoxylated flavonoids from cat’s whiskers bound stably to the binding pocket regions of SARS-CoV molecular targets at – 4.2 to – 7.1 kcal/mol. Furthermore, these cat’s whiskers polyphenol-bound SARS-CoV complexes were held fairly strongly by hydrophobic interactions, hydrogen bonds, and electrostatic interactions at various extents.
Abdullah, S., Shaari, A. R., & Azimi, A. (2012). Effect of drying methods on metabolites composition of misai kucing (Orthosiphon stamineus) leaves. APCBEE Procedia, 2, 178–182. https://doi.org/10.1016/j.apcbee.2012.06.032
Ashraf, K., Halim, H., Lim, S. M., Ramasamy, K., & Sultan, S. (2020). In vitro antioxidant, antimicrobial and antiproliferative studies of four different extrscts of Orthosiphon stamineus, Gynura procumbens and Ficus deltoidei. Saudi Journal of Biological Sciences, 21(1), 417-432. https://doi.org/10.1016/j.sjbs.2019.11.003
Ashraf, K., Sultan, S., & Adam, A. (2018). Orthosiphon stamineus Benth. is an outstanding food medicine: Review of phytochemical and pharmacological activities. Journal of Pharmacy and Bioallied Sciences, 10(3), 109-118. https://doi.org/10.4103/jpbs.JPBS_253_17
Cai, X., Zhang, L., Chen, X., Zhang, H., Xue, H., Lu, Y., Tang, J., & Lu, Y. (2020). Orthosiphon stamineus and rosmarinic acid reduce heat stress in laying hens. Livestock Science, 240, 104124. https://doi.org/10.1016/j.livsci.2020.104124
Deipenbrock, M., & Hensel, A. (2019). Polymethoxylated flavones from Orthosiphon stamineus leaves as antiadhesive compounds against uropathogenic E. coli. Fitoterapia, 139, 104387. https://doi.org/10.1016/j.fitote.2019.104387
Engku-Hasmah, E. A., Ahmad Tarmizi, S., Noor Ismawaty, N., & Abdul Ghani, O. (2013). Total phenolic, total flavonoid and rosmarinic acid contents in Orthosiphon stamineus (Misai Kucing) in relation to storage conditions. Acta Horticulturae, 1012, 837–842. https://doi.org/10.17660/ActaHortic.2013.1012.113
Gu, J., & Korteweg, C. (2007). Pathology and pathogenesis of severe acute respiratory syndrome. The American Journal of Pathology, 170(4), 1136–1147. https://doi.org/10.2353/ajpath.2007.061088
Lan, J., Ge, J., Yu, J., Shan, S., Zhou, H., Fan, S. (2020). Crystal structure of the 2019-nCoV spike receptor-binding domain bound with ACE2 receptor. https://www.biorxiv.org/content/10.1101/2020.02.19.956235v1.full.pdf
Li, Z., Qu, B., Zhou, L., Chen, H., Wang, J., Zhang, W., & Chen, C. (2021). A new strategy to investigate the efficacy markers underlying the medicinal potentials of Orthosiphon stamineus Benth. Frontiers in Pharmacology, 12, 748684. https://doi.org/10.3389/fphar.2021.748684
Muhammad, H., Gomes-Carneiro, M. R., Poa, K. S., De-Oliveira, A. C. A. X., Afzan, A., Sulaiman, S. A., Ismail, Z., & Paumgartten, F. J. R. (2011). Evaluation of the genotoxicity of Orthosiphon stamineus aqueous extract. Journal of Ethnopharmacology, 133(2), 647–653.
Olah, N. K., Radu, L., Mogosan, C., Hanganu, D., & Gocan, S. (2003). Phytochemical and pharmacological studies on Orthosiphon stamineus Benth. (Lamiaceae) hydroalcoholic extracts. Journal of Pharmaceutical and Biomedical Analysis, 33(1), 117-123. https://doi.org/10.1016/s0731-7085(03)00227-9
Pandey, K. B., & Rizvi, S. I. (2009). Plant polyphenols as dietary antioxidants in human health and disease. Oxidative Medicine and Cellular Longevity, 2, 897484. https://doi.org/10.4161/oxim.2.5.9498
Skariyachan, S., Gopal, D., Chakrabarti, S., Kempanna, P., Uttarkar, A., Muddebihalkar, A. G., & Niranjan, V. (2020). Structural and molecular basis of the interaction mechanism of selected drugs towards multiple targets of SARS-CoV-2 by molecular docking and dynamic simulation studies-deciphering the scope of repurposed drugs. Computational Biology Medicine, 126, 104054. https://doi.org/10.1016/j.compbiomed.2020.104054
Tabana, Y. M., Al-Suede, F. S., Ahamed, M. B., Dahham, S. S., Hassan, L. E., Khalilpour, S., Taleb-Agha, M., Sandai, D., Majid, A.S.A., & Majid, A. M. S. A. (2016). Cat’s whiskers (Orthosiphon stamineus) tea modulates arthritis pathogenesis via the angiogenesis and inflammatory cascade. BMC Complementary and Alternative Medicine, 16(1), 480. https://doi:10.1186/s12906- 016-1467-4
Tang, Y., Liu, J., Zhang, D., Xu, Z., Ji, J., & Wen, C. (2020). Cytokine storm in COVID-19: The current evidence and treatment strategies. Frontiers in Immunology, 11, 1708. https://doi.org/10.3389/fimmu.2020.01708
Tezuka, Y., Stampoulis, P., Banskota, A. H., Awale, S., Tran, K. Q., Saiki, I., & Kadota, S. (2000). Constituents of the Vietnamese medicinal plant Orthosiphon stamineus. Chemical and Pharmaceutical Bulletin, 48(110),1711-1719.
Trott, O., & Olson, A. J. (2010). AutoDock Vina: Improving the speed and accuracy of docking with new scoring function, efficient optimization and multithreading. Journal of Comptutational Chemistry, 31(2), 455-461. https://doi.org/10.1002/jcc.21334
Walls, C., Park., Y., Tortorici, M. A., Wall, A., McGuire, A. T., & Veesler, D. (2020). Structure, function and antigenicity of the SARS-CoV-2 spike glycoprotein. Cell, 181(2), 281-292. https://doi.org/10.1016/j.cell.2020.02.058
Wu, Z., & McGoogan, J. M. (2020). Characteristics of and important lessons from the coronavirus disease 2019 (COVID-19) outbreak in China: Summary of a report of 72314 cases from the Chinese Center for Disease Control and Prevention. JAMA - Journal of the American Medical Association, 323(13), 1239–1242. https://doi.org/10.1001/jama.2020.2648
Zhong, Y. S., Yu, C. H., Ying, H. Z., Wang, Z. Y., & Cai, H. F. (2012). Prophylactic effects of Orthisiphon stamineus Benth. extracts on experimental induction of calcium oxalate nephrolithiasis in rats. Journal of Ethnopharmacology, 144(3), 761-767.
ISSN 0128-7680
e-ISSN 2231-8526