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   Some Selected Phytoconstituents from Rhus succedanea as SARS CoV-2 Main Protease and Spike protein (COVID-19) Inhibitors  
   
نویسنده prasanth d. s. n. b. k. ,achanta suneetha ,panda siva prasad ,atmakuri lakshmana rao ,guntupalli chakravarti ,alla narayana rao ,jamullamudi risy namratha ,mohammed jahasultana ,lanka haritha ,nayudu teja ,tera sandhya ,koti bhargavi ,chigurupati monika ,kolla likhith ,tata praveena ,chittiprolu purnadurganjali
منبع iranian journal of pharmaceutical sciences - 2021 - دوره : 17 - شماره : 4 - صفحه:107 -122
چکیده    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.
کلیدواژه ADMET ,In-silico ,Lipinski's Rule ,PyRx ,Rhus succedanea
آدرس kvsr siddhartha college of pharmaceutical sciences, department of pharmacognosy, India, kvsr siddhartha college of pharmaceutical sciences, department of pharmaceutical analysis, India, gla university, institute of pharmaceutical research, department of pharmacology, India, v. v. institute of pharmaceutical sciences, department of pharmaceutical analysis, India, kvsr siddhartha college of pharmaceutical sciences, department of pharmacognosy, India, kvsr siddhartha college of pharmaceutical sciences, department of pharmacognosy, India, koneru lakshmaiah education foundation, k l college of pharmacy, department of pharmacy, India, koneru lakshmaiah education foundation, k l college of pharmacy, department of pharmacy, India, koneru lakshmaiah education foundation, k l college of pharmacy, department of pharmacy, India, v. v. institute of pharmaceutical sciences, department of pharmaceutics, India, sri padmavati manila viswavidyalayam, institute of pharmaceutical technology, department of pharmacology, India, v. v. institute of pharmaceutical sciences, department of pharmaceutics, India, v. v. institute of pharmaceutical sciences, department of pharmaceutics, India, v. v. institute of pharmaceutical sciences, department of pharmaceutical analysis, India, v. v. institute of pharmaceutical sciences, department of pharmaceutical analysis, India, v. v. institute of pharmaceutical sciences, department of pharmaceutical analysis, India
 
     
   
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