Some Selected Phytoconstituents from Rhus succedanea as SARS CoV-2 Main Protease and Spike protein (COVID-19) Inhibitors: Selective Phytoconstituents from Rhus succedanea against SARS CoV-2: In silico approach
نویسندگان
1 Department of Pharmacognosy, KVSR Siddhartha College of Pharmaceutical Sciences, Vijayawada-520010, AP, India
2 Department of Pharmaceutical Analysis, V. V. Institute of Pharmaceutical Sciences, Gudlavalleru, Andhra Pradesh, India
3 Department of Pharmacognosy, KVSR Siddhartha College of Pharmaceutical Sciences, Vijayawada-520010, AP, India
4 Department of Pharmacognosy, KVSR Siddhartha College of Pharmaceutical Sciences, Vijayawada-520010, AP, India
5 Department of Pharmaceutics, V. V. Institute of Pharmaceutical Sciences, Gudlavalleru, Andhra Pradesh, India
6 Department of Pharmacology, Institute of Pharmaceutical Technology, Sri Padmavati Manila Viswavidyalayam, Tirupati, Andhra Pradesh, India
7 Department of Pharmaceutical Analysis, V. V. Institute of Pharmaceutical Sciences, Gudlavalleru, Andhra Pradesh, India
8 Department of Pharmaceutical Analysis, V. V. Institute of Pharmaceutical Sciences, Gudlavalleru, Andhra Pradesh, India
9 Department of Pharmaceutical Analysis, KVSR Siddhartha College of Pharmaceutical Sciences, Vijayawada-520010, AP, India
10 Department of Pharmacology, Institute of Pharmaceutical Research, GLA University, Mathura,Uttar Pradesh, India
11 Department of Pharmacy, K L College of Pharmacy, Koneru Lakshmaiah Education Foundation, Vaddeswaram, Guntur, Andhra Pradesh, India
12 Department of Pharmacy, K L College of Pharmacy, Koneru Lakshmaiah Education Foundation, Vaddeswaram, Guntur, Andhra Pradesh, India
13 Department of Pharmacy, K L College of Pharmacy, Koneru Lakshmaiah Education Foundation, Vaddeswaram, Guntur, Andhra Pradesh, India
14 Department of Pharmaceutics, V. V. Institute of Pharmaceutical Sciences, Gudlavalleru, Andhra Pradesh, India
15 Department of Pharmaceutics, V. V. Institute of Pharmaceutical Sciences, Gudlavalleru, Andhra Pradesh, India
16 Department of Pharmaceutical Analysis, V. V. Institute of Pharmaceutical Sciences, Gudlavalleru, Andhra Pradesh, India
doi
10.22037/ijps.v17.40249چکیده
Rhus succedanea (Anacardiaceae) was used to treat multiple human afflictions. Literary works demonstrate that it has many biological activities. Today's research aims to recognize Rhus succedanea Phyto-derived anti-viral compounds against the main protease and spike protein of the viral agent of COVID-19 (SARS-CoV-2) gain insight into the molecular interactions. In the current study, ten molecules taken from R. succedanea are analyzed through docking, derived from the PubChem database. Docking experiments with Autodock vina and PyRx tools were conducted. AdmetSAR and DruLito servers were eventually used for drug-like prediction. Our research shows that the phytoconstituents from R. succedanea, namely, Amentoflavone, Rhoifolin, and Agathisflavone acts against SARS CoV-2 main protease with the binding affinity of -9.3, -8.6 and -8.4 Kcal/mol; Hinokiflavone Robustaflavone and Amentoflavone acts against the SARS-CoV-2 receptor-binding domain of spike protein with a binding affinity of -10.5, -10.4 and -10.1 Kcal/mol respectively. These phyto-compounds can use contemporary strategies to develop effective medicines from natural origins. The substances identified potential anti-viral as likely. However, In-vitro studies are even more necessary to assess their effectiveness versus SARS CoV-2.
