title: Synthesis, biological evaluation and molecular docking of some substituted pyrazolines and isoxazolines as potential antimicrobial agents.
abstract: A series of substituted pyrazolines (2a-e, 3a-h and 6a-c) and isoxazolines (4a-e) were synthesized and their structures were established on the basis of IR, (1)H NMR, (13)C NMR and mass spectra. All the synthesized compounds were tested against two bacterial and four fungal strains and found to exhibit moderate to potent antifungal activity. Compounds 2b, 4c, 4d and 6a-c exhibited significant activity against all tested fungal strains. MIC values of all the active compounds were comparable with standard drug fluconazole. The results of the in silico molecular docking study supported the antifungal activity of the synthesized compounds.
authors: Department of Chemistry, Faculty of Science, Jamia Hamdard (Hamdard University), New Delhi, India.
authors: Sameena
authors: S
authors: Bano
authors: Department of Chemistry, Faculty of Science, Jamia Hamdard (Hamdard University), New Delhi, India. Electronic address: msalam@jamiahamdard.ac.in.
authors: Mohammad Sarwar
authors: MS
authors: Alam
authors: Department of Chemistry, Faculty of Science, Jamia Hamdard (Hamdard University), New Delhi, India.
authors: Kalim
authors: K
authors: Javed
authors: Department of Microbiology, HIMSR, Jamia Hamdard (Hamdard University), New Delhi, India.
authors: Mridu
authors: M
authors: Dudeja
authors: Department of Microbiology, HIMSR, Jamia Hamdard (Hamdard University), New Delhi, India.
authors: Ayan Kumar
authors: AK
authors: Das
authors: CSIR Unit for Research and Development of Information Products, Pune 411038, India.
authors: Abhijeet
authors: A
authors: Dhulap
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis* / Q000494:pharmacology*; D000935:Antifungal Agents / Q000138:chemical synthesis* / Q000494:pharmacology*; D001419:Bacteria / Q000187:drug effects* / Q000254:growth & development; D003577:Cytochrome P-450 Enzyme System / Q000737:chemistry; D015725:Fluconazole / Q000494:pharmacology; D005658:Fungi / Q000187:drug effects* / Q000254:growth & development; D007555:Isoxazoles / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy; D008826:Microbial Sensitivity Tests; D062105:Molecular Docking Simulation; D011720:Pyrazoles / Q000737:chemistry; D013329:Structure-Activity Relationship
chemical_list: D000900:Anti-Bacterial Agents; D000935:Antifungal Agents; D007555:Isoxazoles; D011720:Pyrazoles; D015725:Fluconazole; D003577:Cytochrome P-450 Enzyme System
keywords: 14α-sterol demethylases; 2-pyrazolines; Isoxazolines antimicrobial; Molecular docking