Screening And Assessment Of Phytochemicals From Aegle Marmelos Against The NS5B Of The Zika Virus Using Molecular Docking

Abstract

The world is about to see the rapid spread of the Zika virus. Zika in South Africa's woodland is not there. The febrile sentinel rhesus monkey serves as a virus's source of identification. The most common carrier is the mosquito. Currently, ZIKV does not have a particular, practicable treatment. Sofosbuvir, boceprevir, acyclovir, atazanavir, and other antiviral synthetic medicines are available, but, at this time, it is unlikely that they will be effective in treating ZIKV. Some significant negative consequences are also produced. This study's overarching issue is that we must solve. In the Indian medical system, the plant Aegel marmelos was widely utilized. The field is quickly evolving. The plant phytoconstituents of Aegel marmelos are predicted to be protective against the Zika virus using a molecular docking study technique. The novel possible active principle to inhibit the Zika virus expansion using the molecular modelling program Schrodinger Maestro 12.7. Also performing ADME screening is the Qikprop tool. The Aegel marmelos plants yielded 60 phytoconstituents for our collection. Comparing the Rutin to other phytoconstituents, the Rutin exhibit a high docking score. Rutin adjusted all drug-likeness characteristics to fit the requirements. Rutin has a higher docking score (-11.471 kcal/mol) than the standard medicine sofosbuvir (-5.5 kcal/mol). The findings indicate that could be advantageous as the leading pharmacological candidate for Zika virus inhibitors.