UBU-SCI Research

#	Name	Keywords	Year
1	In silico study directed towards identification of the key structural features of GyrB inhibitors targeting MTB DNA gyrase: HQSAR, CoMSIA and molecular dynamics simulations	GyrB inhibitors; binding free energy; CoMSIA; HQSAR; MD simulations; DNA gyrase	2019
2	Identification of Potent DNA Gyrase Inhibitors Active against Mycobacterium tuberculosis	Adenosine Triphosphatases, Adenosine Triphosphate, Antitubercular Agents, DNA Gyrase, Humans, Microbial Sensitivity Tests, Mycobacterium tuberculosis, Topoisomerase II Inhibitors, Tuberculosis	2022
3	Bioisosteric Design Identifies Inhibitors of Mycobacterium tuberculosis DNA Gyrase ATPase Activity	Adenosine Triphosphatases; Adenylyl Imidodiphosphate; Antitubercular Agents; Caco-2 Cells; DNA; DNA Gyrase; Humans; Mycobacterium tuberculosis; Topoisomerase II Inhibitors; Tuberculosis	2023
4	Elucidating specific interactions for designing novel pyrrolamide derivatives as potential GyrB inhibitors based on ab initio fragment molecular orbital calculations	DNA gyrase; GyrB; M. tuberculosis; fragment molecular orbital; in silico drug design; inhibitor; molecular dynamics; molecular mechanics; pyrrolamides; specific interactions.	2025