Computational design of MmpL3 inhibitors for tuberculosis therapy
R. Chaitra, Rohit Gandhi, N. Jayanna, Sachin Satyanath, Parasuraman Pavadai, Manikanta Murahari
Topics & Concepts
Mycobacterium tuberculosisIn silicoMolecular mechanicsPharmacophoreDocking (animal)Ligand (biochemistry)ChemistryDrug discoveryProtein Data Bank (RCSB PDB)Mycolic acidComputational biologyBiologyBiochemistryStereochemistryMolecular dynamicsTuberculosisComputational chemistryReceptorPathologyGeneNursingMedicineTuberculosis Research and EpidemiologyChronic Lymphocytic Leukemia ResearchComputational Drug Discovery Methods