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Prayogik Rasayan
Virtual screening of phytochemicals was performed through molecular docking to identify the poten... more Virtual screening of phytochemicals was performed through molecular docking to identify the potential hits that can inhibit the effects of SARS-CoV-2. Considering the published literature on medicinal importance, the phytochemicals from tulsi and wooden apple were selected to search potential inhibitors for RdRp (RNA dependent RNA polymerase) of SARS-CoV-2. The in silico computational results revealed that the phytochemicals such as Limonin, Obacunone, Rutaevin,(-)-(2S)-5,3’-Dihydroxy-4’-methoxy-6’’,6’’-dimethylchromeno-(7,8,2’’,3’’)-flavanone, Lupeol, 5-Hydroxy-2-(-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chroman-4-one, Vitexin, Orientin, and Urosolic acid were found to be effective against the target RdRp(RNA dependent RNA polymerase) of SARS-CoV-2. The protein-ligand interaction study revealed that these phytochemicals bind with the amino acid residues at the active site of the target proteins with a higher binding affinity than remdesivir. Therefore, the core structure of ...
Prayogik Rasayan
Virtual screening of phytochemicals was performed through molecular docking to identify the poten... more Virtual screening of phytochemicals was performed through molecular docking to identify the potential hits that can inhibit the effects of SARS-CoV-2. Considering the published literature on medicinal importance, the phytochemicals from tulsi and wooden apple were selected to search potential inhibitors for RdRp (RNA dependent RNA polymerase) of SARS-CoV-2. The in silico computational results revealed that the phytochemicals such as Limonin, Obacunone, Rutaevin,(-)-(2S)-5,3’-Dihydroxy-4’-methoxy-6’’,6’’-dimethylchromeno-(7,8,2’’,3’’)-flavanone, Lupeol, 5-Hydroxy-2-(-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chroman-4-one, Vitexin, Orientin, and Urosolic acid were found to be effective against the target RdRp(RNA dependent RNA polymerase) of SARS-CoV-2. The protein-ligand interaction study revealed that these phytochemicals bind with the amino acid residues at the active site of the target proteins with a higher binding affinity than remdesivir. Therefore, the core structure of ...