Hung, Alvin W.; Silvestre, H. Leonardo; Wen, Shijun; George, Guillaume P. C.; Boland, Jennifer; Blundell, Tom L.; Ciulli, Alessio; Abell, Chris published the artcile< Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis>, Recommanded Product: Morpholine-4-sulfonamide, the main research area is Mycobacterium pantothenate synthetase inhibitor preparation design structure activity tuberculostatic; indole derivative preparation Mycobacterium pantothenate synthetase inhibitor structure activity; Mycobacterium tuberculosis; drug design; fragment-based screening; group efficiency; pantothenate synthetase.
Ligand efficiency has proven to be a valuable concept for optimization of leads in the early stages of drug design. Taking this one step further, group efficiency (GE) evaluates the binding efficiency of each appendage of a mol., further fine-tuning the drug design process. Here, GE anal. is used to systematically improve the potency of inhibitors of Mycobacterium tuberculosis pantothenate synthetase, an important target in tuberculosis therapy. Binding efficiencies were found to be distributed unevenly within a lead mol. derived using a fragment-based approach. Substitution of the less efficient parts of the mol. allowed systematic development of more potent compounds This method of dissecting and analyzing different groups within a mol. offers a rational and general way of carrying out lead optimization, with potential broad application within drug discovery.
ChemMedChem published new progress about Binding energy. 25999-04-6 belongs to class amides-buliding-blocks, and the molecular formula is C4H10N2O3S, Recommanded Product: Morpholine-4-sulfonamide.
Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics