DEVELOPMENT OF NEW PYRAZOLE HYBRIDS AS ANTITUBERCULAR AGENTS: SYNTHESIS, BIOLOGICAL EVALUATION AND MOLECULAR DOCKING STUDY
Journal Title: International Journal of Pharmacy and Pharmaceutical Sciences - Year 2017, Vol 9, Issue 10
Abstract
Objective: synthesis of new 1, 3-diphenyl pyrazole derivatives 9(a-f) and 10(a-f) using molecular hybridization approach for antitubercular and cytotoxic studies.Methods: The structures of synthesized compounds were confirmed by 1H-NMR, 13C-NMR and mass spectra’s. The antitubercular activity of compounds and standard drugs were assessed against Mycobacterium tuberculosis using microplate Alamar Blue assay (MABA).  The cytotoxic activities were performed by Sulforhodamine B (SRB) assay. The molecular docking and in silico ADME prediction were studied by using Schrodinger.Results: The results reveals that the compounds 9c, 9d, 10c and 10d exhibited substantial antitubercular potential with MIC < 20 μM. The cytotoxic studies revealed that the active compounds (9d, 10a, and 10d) are non-toxic to HeLa cancer cell lines with selectivity index >10. The molecular docking study was performed to study the binding orientation and affinity of synthesized compounds for InhA enzyme.Conclusion: The study explored that the 1, 3-diphenyl pyrazole hybrids coupled with well known antitubercular drugs could be a potential lead for antitubercular agents. In-silico molecular docking study helps to identify their corresponding intermolecular ligand-protein interactions with target enzyme. Also ADME prediction studies revealed that the compounds were in acceptable range to have pharmacokinetic parameters.
Authors and Affiliations
Sameer I. Shaikh, Zahid Zaheer, Santosh N. Mokale, Deepak K. Lokwani
Keywords
Related Articles
- EP ID EP575447
- DOI 10.22159/ijpps.2017v9i11.20469
- Views 97
- Downloads 0
INFLUENCE OF PEPTIDE P34 ON GENE EXPRESSION OF LISTERIA MONOCYTOGENES AND LISTERIA SEELEGERI
Objective: Investigate the influence of the antimicrobial peptides P34 and nisin on the expression of genes associated with components of the cell surface of Listeria monocytogenes and Listeria seeligeri.Methods: Antimic...
STABILITY INDICATING ANALYTICAL METHOD DEVELOPMENT AND VALIDATION OF MEMANTINE HCl AND DONEPEZIL HCl USING RP-HPLC
Objective: To develop and validate stability indicating method for the analysis of Memantine HCl and Donepezil HCl.Methods: The chromatographic separation was performed on Hypersil BDS (4.6 x 150 mm, 5m) using Sodium dih...
STRUCTURE-BASED DESIGN OF NOVEL RILPIVIRINE ANALOGUES AS HIV-1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS THROUGH QSPR AND MOLECULAR DOCKING
Objectives: The aim of this research is to investigate the better biological activities from Rilpivirine analogues based on their Quantitative Structure-Property Relationship (QSPR) and pharmacophore study.Methods: In th...
ANTIMICROBIAL PROFILES, ANTIDIARRHEAL AND ANTIPYRETIC CAPACITIES OF PHENOL ACID RICH-FRACTIONS FROM XIMENIA AMERICA L., (OLACACEAE) IN WISTAR ALBINO RATS
Objective: The present study aim to evaluate antimicrobial and antidiarrheal activities of phenol acid-rich fractions of roots from Ximenia americana L., in animal models in order to confirm the ethnomedicinal use of Xim...
STUDY OF IN VITRO GLUCOSE UPTAKE ACTIVITY OF ISOLATED COMPOUNDS FROM HYDRO ALCOHOLIC LEAF EXTRACT OF CARDIOSPERMUM HALICACABUM LINN
Objective: Herbal medicines have long been used effectively in the treatment of Diabetes Mellitus. Cardiospermum halicacabum(C. halicacabum) has been used for several centuries for the treatment of various ailments. The...