000			01557nam a2200157 4500
008			250215b |||||||| |||| 00| 0 eng d
082			_bP.21-37
100			_aElseena Jose
245			_aIN SILICO DESIGNING AND SCREENING OF CARBAZOLE DERIVATIVES AS TOPOISOMERASE II INHIBITORS
300			_aP.21-37
520			_aDue to side effects and drug resistance, cancer treatment choices are limited despite continued attempts. Topoisomerases are essential for several cellular processes and human topoisomerase I and topoisomerase II alpha inhibitors have proven to be an effective chemotherapeutic alternative for a wide range of cancers, due to its fast proliferating cells and the higher level of these enzymes in solid tumors relative to normal tissue. In this study, around 30 carbazole derivatives were designed using Chem Draw ultra and their ability to inhibit topoisomerase II was investigated using in silico docking studies and molecular dynamics. The results revealed ligand 10 and ligand 25 held good binding energy scores of -9.21 and -9.50, Kcal mol-1 respectively, with good interaction. ADMET analysis assured the drug likeness and better GI absorption than the parent drug and dexrazoxane. Desmond module of Schrödinger Suite was used and it demonstrated the stability in ligand receptor complexes.
654			_aCarbazole _atopoisomerase _aautodock _amolecular dynamics
700			_aPrasanth Francis
773	0		_0125265 _9109908 _dMumbai Indian Drugs Manufacturer's Association _tIndian Drugs _x0019-462X
942			_cJA
999			_c131148 _d131148