MOLECULAR DOCKING FOR THE IDENTIFICATION OF NIPAH VIRUS “G” SITE INHIBITORS FROM VARIOUS MEDICINAL PLANTS
Main Article Content
Keywords
Aloe barbadensis, Curcuma longa, phytoconstituents, Nipah virus, Molecular docking and ADME analysis.
Abstract
Objective: Recently to see the rapid spread of the Nipah virus in the world. NiV is first discover in Malaysia. Bats are the main reservoir as a viral source particularly,fruits and date palm sap are contaminated by their saliva. It is spread in India last year also. This disease does not have any particular treatment and vaccines to treat against the virus to cure the infected person. In 2023, the mortality rate of this virus in Bangladesh is 85%. Now a days the common antiviral drugs like Ribavirin,Monoclonal antibody and Favipiravir are used. Some significant consequences are produced. In this study, we focus alternative remedy to against the Nipha virus.
Materials and methods:. The plant phytoconstituents of Aloe barbadensis, Curcuma longa is predicted to be against Niv using a molecular docking study using the Schrodinger Maestro 12.7 version. Also performing ADME screening is the Qikprop tool. The field is quickly evolving, the novel possible active principle to inhibit the Nipah virus.
Results: Out of 99 phytoconstituents 6-Deoxy-L-Mannopyranose has a higher docking score -6.65Kcal/mol and Vanillic acid -6.305kcal/mol than the standard Ribavirin-5.519Kcal/mol.
Conclusion: Hence it can be utilized as a lead compound to control Nipah virus. Therefore, it is concluded to be fit for human consumption without adverse effects.
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Dr Geetha
Department of Pharmacognosy, Arunai College of Pharmacy, Tiruvannamalai -606603, Tamil Nadu, India.
Dr Jayaprakash Shanmugam
Department of Pharmaceutics, Arunai College of Pharmacy, Tiruvannamalai-606603, Tamil Nadu, India.
Dr S.K Senthil Kumar
Department of Pharmaceutics, Arunai College of Pharmacy, Tiruvannamalai-606603, Tamil Nadu, India.
Ali Ramathan
Department of Pharmacognosy, Arunai College of Pharmacy, Tiruvannamalai -606603, Tamil Nadu, India.
Gowsiya Azmee
Department of Pharmacognosy, Arunai College of Pharmacy, Tiruvannamalai -606603, Tamil Nadu, India.
Kavipriya
Department of Pharmacognosy, Arunai College of Pharmacy, Tiruvannamalai -606603, Tamil Nadu, India.
Kiruthika
Department of Pharmacognosy, Arunai College of Pharmacy, Tiruvannamalai -606603, Tamil Nadu, India.
Manikandan
Department of Pharmacognosy, Arunai College of Pharmacy, Tiruvannamalai -606603, Tamil Nadu, India.