title: Thiophene and benzodioxole appended thiazolyl-pyrazoline compounds: Microwave assisted synthesis, antimicrobial and molecular docking studies.
abstract: A novel series of thiophene and benzodioxole appended thiazolyl-pyrazoline derivatives have been designed, synthesized and evaluated against different bacteria and fungi. The antimicrobial activity of the synthesized compounds were screened using MIC method and were proved synthesized compounds 7o, 7r and 7t to show good antimicrobial activity against bacteria and fungi. In silico molecular docking studies revealed that all the synthesized molecules showed good binding energy toward the target receptor DNA topoisomerase IV, ranging from -10.42 to -11.66 kcal/mol.
authors.affiliation: PG & Research Department of Chemistry, Presidency College, Chennai 600 005, India.
authors.forename: S
authors.initials: S
authors.lastname: Shahavar Sulthana
authors.affiliation: PG & Research Department of Chemistry, Presidency College, Chennai 600 005, India. Electronic address: aruantsam@gmail.com.
authors.forename: S
authors.initials: S
authors.lastname: Arul Antony
authors.affiliation: Division of Microbiology and Cancer Biology, Entomology Research Institute, Loyola College, Chennai 600034, India.
authors.forename: C
authors.initials: C
authors.lastname: Balachandran
authors.affiliation: Department of Chemistry, Thiruvalluvar University, Serkadu, Vellore 632 115, India. Electronic address: suban_shafi@yahoo.com.
authors.forename: S
authors.initials: S
authors.lastname: Syed Shafi
mesh_terms: D000890:Anti-Infective Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D052117:Benzodioxoles / Q000737:chemistry; D001665:Binding Sites; D027101:DNA Topoisomerase IV / Q000037:antagonists & inhibitors / Q000378:metabolism; D005658:Fungi / Q000187:drug effects; D006090:Gram-Negative Bacteria / Q000187:drug effects*; D006094:Gram-Positive Bacteria / Q000187:drug effects*; D008826:Microbial Sensitivity Tests; D008872:Microwaves; D062105:Molecular Docking Simulation; D011485:Protein Binding; D011720:Pyrazoles / Q000737:chemistry*; D013329:Structure-Activity Relationship; D013816:Thermodynamics; D013844:Thiazoles / Q000737:chemistry*; D013876:Thiophenes / Q000737:chemistry
chemical_list: D000890:Anti-Infective Agents; D052117:Benzodioxoles; D011720:Pyrazoles; D013844:Thiazoles; D013876:Thiophenes; D027101:DNA Topoisomerase IV
keywords: Antimicrobial; Molecular docking; Pyrazoline; Thiazole