000			01379nam a2200133 4500
008			250211b |||||||| |||| 00| 0 eng d
082			_bP.78-91
100			_aAminabee Shaik
245			_aCOMPUTATIONAL IDENTIFICATION OF SELECTED BIOACTIVE COMPOUNDS FROM CEDRUS DEODARA AS INHIBITORS AGAINST SARS-COV-2 MAIN PROTEASE: A PHARMACOINFORMATICS STUDY
520			_aAmid the ongoing Covid-19 pandemic, the quest for potent antiviral treatments intensifies. This study focuses on the potential of bioactive compounds from the Himalayan cedar Cedrus deodara against the SARS-CoV-2 virus. Specifically targeting the main protease (MPro) and spike protein, the study employs docking trials and molecular dynamics simulations. Compounds such as quercetin, dihydrodehydrodiconiferyl alcohol, and cedeodarin exhibit notable binding affinity, surpassing the reference drug favipiravir. Molecular dynamics simulations affirm the stability of these complexes throughout the simulation period. While these findings underscore promising interactions, it is crucial to emphasize the need for further research and experimental validation to fully explore the therapeutic capabilities of C. deodara in combatting Covid-19
700			_aLakshmana Rao Atmakuria
773	0		_0125265 _9109625 _dMumbai Indian Drugs Manufacturer's Association _tIndian Drugs _x0019-462X
942			_cJA
999			_c131039 _d131039