title: Design, Synthesis, Antimicrobial Evaluation and Molecular Modeling Study of 1,2,4-Triazole-Based 4-Thiazolidinones.
abstract: A series of 3-(2H-1,2,4-triazol-5-yl)-1,3-thiazolidin-4-one derivatives (7c-l) was designed and synthesized. Their structures have been elucidated based on analytical and spectral data. They were evaluated for their antibacterial and antifungal activities. Compound 7h showed the highest activity against all tested strains, except P. vulgaris, with MIC 8 μg/mL and 4 μg/mL against S. aureus and C. albicans, respectively. Furthermore, Compounds 7c, 7h, and 7j demonstrated moderate anti-mycobacterium activity. The binding mode of the synthesized thiazolidinones to bacterial MurB enzyme was also studied. Good interactions between the docked compounds to the MurB active site were observed primarily with Asn83, Arg310, Arg188 and Ser82 amino acid residues.
authors.affiliation: Department of Pharmacognosy and Pharmaceutical Chemistry, College of Pharmacy, Taibah University, Al-Madinah, Al-Munawarah 30001, Saudi Arabia. smahmed@taibahu.edu.sa.|Department of Medicinal Chemistry, Faculty of Pharmacy, Assiut University, Assiut 71526, Egypt. smahmed@taibahu.edu.sa.
authors.forename: Sahar
authors.initials: S
authors.lastname: Ahmed
authors.affiliation: Department of Pharmacognosy and Pharmaceutical Chemistry, College of Pharmacy, Taibah University, Al-Madinah, Al-Munawarah 30001, Saudi Arabia. mfzayed25@yahoo.com.|Pharmaceutical Chemistry, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Al-Azhar University, Cairo 11884, Egypt. mfzayed25@yahoo.com.
authors.forename: Mohamed F
authors.initials: MF
authors.lastname: Zayed
authors.affiliation: Department of Pharmacognosy and Pharmaceutical Chemistry, College of Pharmacy, Taibah University, Al-Madinah, Al-Munawarah 30001, Saudi Arabia. shahenda76@yahoo.com.|Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Mansoura University, Mansoura 35516, Egypt. shahenda76@yahoo.com.
authors.forename: Shahenda M
authors.initials: SM
authors.lastname: El-Messery
authors.affiliation: Department of Pharmaceutics, College of Pharmacy, King Saud University, P. O. Box 2457, Riyadh 11451, Saudi Arabia. elagamy71@yahoo.com.|Department of Microbiology and Immunology, Faculty of Pharmacy, Al-Azhar University, Nasr City, Cairo 11884, Egypt. elagamy71@yahoo.com.
authors.forename: Mohamed H
authors.initials: MH
authors.lastname: Al-Agamy
authors.affiliation: Department of Medicinal Chemistry, Faculty of Pharmacy, Assiut University, Assiut 71526, Egypt. hamdym01@yahoo.com.
authors.forename: Hamdy M
authors.initials: HM
authors.lastname: Abdel-Rahman
mesh_terms: D000890:Anti-Infective Agents / Q000138:chemical synthesis* / Q000494:pharmacology*; D015195:Drug Design; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D045162:Thiazolidinediones / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D000890:Anti-Infective Agents; D045162:Thiazolidinediones
keywords: 1,2,4-triazoles; 4-thiazolidinones; antibacterial agents; antifungal agents; molecular docking