A comparative study of 5- fluorouracil, doxorubicin, methotrexate, paclitaxel for their inhibition ability for Mpro of nCoV: Molecular docking and molecular dynamics simulations
Madhur Babu Singh, Vijay Kumar Vishvakarma, Aditya Aryan Lal, Ramesh Chandra, Pallavi Jain, Prashant Singh
Topics & Concepts
ChemistryDoxorubicinPaclitaxelPharmacologyDocking (animal)Molecular dynamicsMethotrexateComputational chemistryChemotherapyMedicineSurgeryNursingImmunologyComputational Drug Discovery MethodsSynthesis and biological activityMetal complexes synthesis and properties