Atom based 3D QSAR and Fingerprint based 2D QSAR of Novel Molecules as MmpL3 receptor inhibitors for Mycobacterium tuberculosis

Poojita, K and Fathima, Fajeelath and Ray, Rajdeep and Kumar, Lalit and Verma, Ruchi (2021) Atom based 3D QSAR and Fingerprint based 2D QSAR of Novel Molecules as MmpL3 receptor inhibitors for Mycobacterium tuberculosis. Research Journal of Pharmacy and Technology, 14 (12). pp. 6321-6329. ISSN 0974-3618

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Abstract

Tuberculosis is one of the leading cause of increase in mortality rate in today’s health care scenario. Due to increase frequency of drug resistant TB it is prudent to find new targets and promising targets for anti-tubercular activity. MmpL3 (Mycobacterial Membrane Protein Large 3) is one of the most effective and promiscuous targets for development of new drug for anti-tubercular therapy due to its cross resistance inhibition property. In this study we have presented atom based 3D QSAR and finger print based 2D QSAR models to study different structural and functional groups of Adamantyl urea derivatives and their action in MmpL3 inhibitory activity which will provide us the insight for designing better and far more effective anti TB drugs

Item Type: Article
Uncontrolled Keywords: MmpL3 inhibitors; Atom based 3D QSAR; Fingerprint based 2D QSAR
Subjects: Pharmacy > MCOPS Manipal > Pharmaceutical Chemistry
Pharmacy > MCOPS Manipal > Pharmaceutics
Depositing User: KMC Library
Date Deposited: 01 Feb 2022 08:55
Last Modified: 01 Feb 2022 08:55
URI: http://eprints.manipal.edu/id/eprint/158229

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