Volume No. :   10

Issue No. :  2

Year :  2020

ISSN Print :  2231-5705

ISSN Online :  2231-5713


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Antiviral screening of Clerodol derivatives as COV 2 main protease inhibitor in Novel Corona Virus Disease: In silico approaches



Address:   Sindhu. T. J*, Arathi. K. N, Akhilesh K. J, Anju. Jose, Binsiya K. P, Blessy Thomas, Elizabeth Wilson
Department of Pharmaceutical Chemistry, Sanjo College of Pharmaceutical Studies, Vellapara, Palakkad
*Corresponding Author
DOI No: 10.5958/2231-5713.2020.00012.4

ABSTRACT:
Plant based medicines are gaining much importance nowadays because of some drawbacks that are associated with the use of modern medicines. Discovery of new therapeutics is a very challenging, expensive and time consuming process. With the number of approved drugs declining steadily combined with increasing costs, a rational approach is needed to facilitate, expedite and streamline the drug discovery process. In this regard In silico identification for potential hits has become a popular approach in computer-aided drug discovery. Here we consider molecular docking approach in the development of novel antiviral inhibitors for COVID 19. COV- 2 main protease contain a non-structural protein (PDB ID: 6LU7) which serve as the potential targets for the studies. Terpenoids can inhibit the COVID-19 main protease that present in the Corona virus which is an essential viral enzyme. The COVID-19 main protease of the Corona virus species is one of the attractive targets in corona associated diseases. By considering the above observations, an attempt for molecular docking studies of terpenoids present in Clerodendrum paniculatum with COVID-19 main protease (PDB ID: 6LU7) by using in silico studies by molinspiration online tool and evaluated for their antiviral activity. Clerodol is an important triterpenoid present in Clerodendrum paniculatum leaves act as a potential inhibitor. Clerodol showed binding energy -5.74 kcal/mol. Pyrrole derivative of clerodol have highest binding energy -7.4 Kcal/mol. But all derivatives of Clerodol have binding energies more than the standard. The compounds showed good activity against Corona virus comparable to that of standard drug baricitinib. Thus, Clerodendrum paniculatum leaves appears to be an effective material for development of antiviral drugs against corona. So that it may serve as a reference for further studies
KEYWORDS:
Clerodendrum paniculatum, Antiviral activity, COV- 2 main protease, COVID-19, Molecular docking.
Cite:
Sindhu. T. J, Arathi. K. N, Akhilesh K. J, Anju. Jose, Binsiya K. P, Blessy Thomas, Elizabeth Wilson. Antiviral screening of Clerodol derivatives as COV 2 main protease inhibitor in Novel Corona Virus Disease: In silico approaches. Asian J. Pharm. Tech. 2020; 10(2):60-64.
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