Design, Synthesis, Characterization and Biological Evaluation of Some Novel Isatin Derivatives as Antitubercular Agents.

Bakkiyaraj, K (2014) Design, Synthesis, Characterization and Biological Evaluation of Some Novel Isatin Derivatives as Antitubercular Agents. Masters thesis, College of Pharmacy, Madras Medical College, Chennai.

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AIM: The present study to design, synthesis, characterize and evaluate compounds for their potential antitubercular activity .The ability of compounds to inhibit cell wall synthesis by inhibiting Mycolic acid cyclopropane synthase [cmaA1 target (1L1E)] is to be evaluated. OBJECTIVES DESIGN : In-silico design of Mycolic acid cyclopropane synthase [cmaA1 target (1L1E)] inhibitors. SYNTHESIS: Based upon the Docking parameters and synthetic feasibility the following compounds will be synthesized. (3Z)-3-[(3-{[(E)-phenylmethylidene]amino}phenyl)imino]-1,3-dihydro-2H-indol-2- one. (3Z)-3-[(3-{[(E)-(4-methoxyphenyl)methylidene]amino}phenyl)imino]-1,3-dihydro- 2H-indol-2-one. (3Z)-3-[(3-{[(E)-(2-hydroxyphenyl)methylidene]amino}phenyl)imino]-1,3-dihydro- 2H-indol-2-one. CHARACTERIZATION: The above synthesised compounds will be identified and characterized by using Melting point, TLC method, Infrared Spectroscopy, Nuclear Magnetic Spectroscopy, Mass spectroscopy. BIOLOGICAL EVALUATION: The synthesized compounds will be screened for their anti-tubercular activity by in-vitro methods. TOXICOLOGICAL PREDICTION: Toxicological prediction will be carried out for synthesized compounds by in-silico property explorer like OSIRIS. DRUG DESIGN AND DOCKING All the designed molecules were docked to the specific target i.e., cmaA1 target (1L1E) mycolic acid cyclopropane synthase using drug design software (GLIDE Maestro 9.1). Those molecules with the top G-Score molecules which possessed synthetic feasibility were selected and others were ruled out. SYNTHESIS AND CHARACTERIZATION: The chosen compounds were synthesized by the conventional method and checked for purity initially by TLC and melting point methods. The structure of the synthesized compounds was assigned on the basis of spectral studies of IR, H1NMR and Mass spectroscopy method. All the synthesized compounds comply with the spectral requirements. BIOLOGICAL SCREENING Invitro Anti-tubercular activity: The synthesized compound [KB01, KB05 & KB06] showed the anti-tubercular activity. The pathogen tested was susceptible to all the synthesized compounds at 100μg/ml and 50μg/ml concentration. This proved that the docking method with GLIDE [Maestro 9.1] is ideal and fruitful for predicting biological activity. Toxicological prediction: Toxicity prediction was done by the in silico approaches using Osiris property explorer software. It shows for all the synthesized compounds are found to be no risk of undesired effects like tumorigenic, reproductive effective. But it shows some extent of undesired effects like mutagenicity and irritant quality.

Item Type: Thesis (Masters)
Uncontrolled Keywords: Design; Synthesis; Characterization; Biological Evaluation; Some Novel Isatin Derivatives; Antitubercular Agents
Subjects: PHARMACY > Pharmaceutical Chemistry
Depositing User: Ravindran C
Date Deposited: 20 Oct 2017 06:47
Last Modified: 20 Oct 2017 06:47

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