Potential of NO donor furoxan as SARS-CoV-2 main protease (M<sup>pro</sup>) inhibitors:<i>in silico</i>analysis
Abdullah G. Al‐Sehemi, Mehboobali Pannipara, Rishikesh S. Parulekar, Omkar Patil, Prafulla B. Choudhari, Manish S. Bhatia, P. K. Zubaidha, Yasinalli Tamboli
Abstract
inhibition due to the presence of key isoquinolino-piperidine skeleton with additional NO effect.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
FuroxanIn silicoChemistryDocking (animal)Molecular dynamicsStereochemistryMolecular mechanicsProteasesProteasePiperidineNitric oxideEnzymeBiochemistryComputational chemistryNursingMedicineGeneOrganic chemistryComputational Drug Discovery MethodsSynthesis and biological activityPhenothiazines and Benzothiazines Synthesis and Activities