EVALUATION OF PHYTO CONSTITUENTS OF Caesalpinia sappan AGAINST SARS CoV-2 USING MOLECULAR DOCKING
62 / 18
Authors
-
Jaikanth C M
Assistant Professor, Directorate of Research, Tamil Nadu Veterinary and Animal Sciences University
-
Raja P
Assistant Professor, Departrment of Animal Biotechnology, MVC, Tamil Nadu Veterinary and Animal Sciences University
-
Jalantha P
Assistant Professor, Laboratory Animal Medicine Unit, Directorate of Centre for Animal Health Studies, Madhavaram Milk Colony, TANUVAS
Keywords:
Caesalpinia sappan, coronavirus, SARS CoV-2, viral attachment and replicationAbstract
SARS CoV-2 is a global pandemic threatening mankind and is causing great economic losses. Remedies are sought by eminent scientists throughout the world from various sources of available medicine. The search for the efficient drug candidate to combat the dreaded pandemic is still on. Caesalpinia sappan Linn. is a common medicinal herb having various medicinal properties like cytotoxic, antitumorigenic, anticoagulant, antioxidant, anti-inflammatory, antibacterial, antiviral, immunostimulant, and hepatoprotective properties. In this study, a few promising phyto constituents of C. sappan were chosen and their effects against the important disease-causing protein receptors of SARS CoV-2 were studied in silico. Phytoconstituents of Caesalpinia sappan (Caesalpin J, Deoxysappanone B, Methylepisappanol, Methylsappanol, Quercetin) expressed superior or equivalent binding affinity against the three chosen receptors of SARS CoV-2 namely spike glycoprotein, main protease, and RNA dependent RNA polymerase. Hence, necessary in vivo studies may be undertaken to evaluate the antiviral properties of C. sappan against SARS CoV-2.
Downloads
References
Badami, S., Moorkoth, S. and Suresh, B. (2004). Caesalpinia sappan - A medicinal and dye-yielding plant. Natural Product Radiance, 3(2):75- 82.
Badami, S., Moorkoth, S., Rai, S.R., Kannan, E. and Bhojraj, S. (2003). Antioxidant activity of Caesalpinia sappan heartwood. Biological of Pharmaceutical Bulletin, 26: 1534- 1537.
Baek, N.I., Jeon, S.G., Ahn, E.M., Hahn, J.T., Bahn, J.H. and Cho, S.W. (2002). Anticonvulsant compounds from the wood of Caesalpinia sappan L. Archives of Pharmacol Research, 23: 344-348.
Benabadji, S.H., Wen, R., Zheng, J.B., Dong, X.C. and Yuan, S.G. (2004). Anticarcinogenic and antioxidant activity of di indolyl methane derivatives. Acta pharmacol Sci.,25: 666-667.
Chan, J.F., Yuan, S., Kok, K.H., To, K.K., Chu, H., Yang, J., Xing, F., Liu, J., Yip, C.C., Poon, R.W., Tsoi, H.W., Lo, S.K., Chan, K.H., Poon, V.K., Chan, W.M., Ip, J.D., Cai, J.P., Cheng, V.C., Chen, H., Hui, C.K. and Yuen, K.Y. (2020). A familial cluster of pneumonia associated with the 2019 novel corona virus indicating personto- person transmission: A study of a family cluster. Lancet, 395(10223): 514–523.
Daina, A., Michielin, O. and Zoete, V. (2017). Swiss ADME: a free web tool to evaluate pharmacokinetics, druglikeness and medicinal chemistry friendliness of small molecules. Scientific Report, 7:42717.
Kumar, A.H.S. (2020). Molecular docking of natural compounds from tulsi (Ocimum sanctum) and neem (Azadirachta indica) against SARSCoV -2 protein targets. BEMS Reports, 6(1): 11-13.
Lim, M.Y., Jeon, J.H., Jeong, E.Y., Lee, C.H. and Lee, H.S. (2007). Antimicrobial activity of 5-hydroxy- 1,4-naphthoquinone isolated from Caesalpinia sappan toward intestinal bacteria. Food Chemistry, 100: 1254- 1258.
Mohanraj, K., Karthikeyan, B.S., Vivek- Ananth, R.P., Chand, R.P.B., Aparna, S.R., Mangalapandi, P. and Samal, A. (2018). IMPPAT: A curated database of Indian Medicinal Plants, Phytochemistry and Therapeutics. Scientific Report, 8(1): 4329.
Oh, S.R., Kim, D.S., Lee, I.S., Jung, K.Y., Lee, J.J. and Lee, H.K. (1998). Anti-complementary activity of constituents from the heartwood of Caesalpinia sappan. Planta Medica, 64: 456-458.
Ortega, J.T., Serrano, M.L., Pujol, F.H. and Rangel, H.R. (2020). Unrevealing sequence and structural features of novel coronavirus using in silico approaches: The main protease as molecular target. EXCLI journal, 19: 400.
Park, K.J., Yang, S.H., Eun, Y.A, Kim, S.Y., Lee, H.H. and Kang, H. (2002). Cytotoxic effects of Korean medicinal herbs determined with hepatocellular carcinoma cell lines. Pharmaceutical Biology, 40(3):189-195
Sagar, V. and Kumar, A.H.S. (2020). Efficacy of natural compounds from Tinospora cordifolia against SARS-CoV-2 protease, surface glycoprotein and RNA polymerase. BEMS Reports, 6(1): 6-8.
Seeliger, D. and DeGroot, B.L. (2010). Ligand docking and binding site analysis with PyMOL and Autodock/Vina. Journal of Computer Aided Molecular Design, 24(5):417-422.
Srilakshmi, V.S., Vijayan, P., Vasantha Raj, P., Dhanaraj, S.A. and Raghu Chandrashekhar H. (2010). Hepatoprotective properties of Caesalpina sappan Linn. heartwood on carbon tetrachloride induced toxicity. Indian Journal of Experimental Biology, 48: 905-910.
Trott, O. and Olson, A.J. (2010). AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of Computational Chemistry, 31(2):455-461.
Wu, F., Zhao, S., Yu, B., Chen, Y.M., Wang, W., Song, Z.G., Hu, Y., Tao, Z.W., Tian, J.H., Pei, Y.Y., Yuan, M.L., Zhang, Y.L., Dai, F.H., Liu, Y., Wang, Q.M., Zheng, J.J., Xu, L., Holmes, E.C. and Zhang, Y.Z. (2020). A new corona virus associated with human respiratory disease in China. Nature, 579(7798): 265–269.
Xu, H.X. and Lee, S.F. (2004). The antibacterial principle of Caesalpinia sappan. Phytotherapy Research, 18: 647-651.
Zheng, J. (2020). SARS-CoV-2: An emerging corona virus that causes a global threat. International Journal of Biological Sciences, 16(10): 1678–1685.
Downloads
Submitted
Published
Issue
Section
License
All the copy right belongs to the sponsoring Organization, Tamil Nadu Veterinary and Animal Sciences University, Chennai - 51.