Data associated with: Molecular Docking, ADME Analysis, and Estimation of MM/GBSA Binding-Free Energies of Coumarin Derivatives as Potential Inhibitors of SARS CoV-2 Receptors

NOTE: there is no peer-reviewed publication associated with this data record.<br>This dataset consists of 1 .zip file of data and 2 .txt metadata files. The data are in silico molecular modelling using the Glide module of Schrodinger (see Reference below for link). The .zip file contains the following folders: <br><b>- RAW_data </b>- containing the ligands and proteins of SARS CoV-2<br><b>- Generated_data_docked </b>- containing the docked and ADME/T or QuikProp data of endoribonuclease, methyltransferase, phosphatase, and protease<br><b>- MMGBSA</b> - containing the MM-GBSA data of endoribonuclease, methyltransferase, phosphatase, and protease<br>The related manuscript presents <i>in silico</i> screening of coumarin derivatives against protease, NSP15 endonuclease, ADP ribose of phosphatase NSP3 and methyltransferase NSP16 of SARS-CoV-2. These data will provide information to other researchers with opportunities to identify accurate drugs to treat COVID-19. <br>Molecular docking was performed on GLIDE (Grid-based Ligand Docking with Energetics) module of maestro 12.0 (Schrodinger LLC 2019, USA) between ligand/s molecules with a receptor macromolecule, mainly protein.<br><b><br></b>