Design,synthesis, biological activities and DFT calculation of novel 1,2,4-triazole Schiff base derivatives |
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| Institution: | 1. College of Pharmacy, Shaanxi University of Chinese Medicine, Xi’an/Xianyang, China;2. Department of Chemistry, Hong Kong University of Science and Technology, Hong Kong, China;3. College of Biology Pharmacy and Food Engineering, Shangluo University, Shangluo, China;4. School of Chemical Engineering, Northwest University, Xi’an, China;5. School of Chemistry and Materials, Northwest University, Xi’an, China;6. Department of Medcine, Ankang Vocational and Technical College, Ankang, China;7. State Key Laboratory of Elemento-Organic Chemistry, Institute of Elemento-Organic Chemistry, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), College of Chemistry, Nankai University, Tianjin, China;1. Chemistry Department, Faculty of Science, Alexandria University, P.O. Box 426, Alexandria Ibrahimia 21321, Egypt;2. Chemistry Department, College of Science and Arts, King Abulaziz University, P.O. Box 344, Rabigh 21911, Saudi Arabia;3. Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451, Saudi Arabia;4. Department of Chemistry, Faculty of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia;1. Department of Crystallography, Faculty of Chemistry, Maria Curie-Sklodowska University, Maria Curie-Sklodowska sq. 3, 20-031 Lublin, Poland;2. Department of Organic Chemistry, Faculty of Pharmacy, Medical University, Chodzki 4A, 20-093 Lublin, Poland;1. Laboratoire de Chimie Organique Hétérocyclique, Centre de Recherche des Sciences des Médicaments, Pôle de Compétences Pharmacochimie, URAC 21, Faculté des Sciences, Université Mohammed V Rabat, Avenue Ibn Battouta, BP 10014 Rabat, Morocco;2. Organic Chemistry Department, Science Faculty, RUDN University Miklukho-Maklaya st. 6, 117198 Moscow, Russian Federation;3. University Mohammed V in Rabat, Faculté de Médicine et de Pharmacie, Laboratoire de Pharmacologie et Toxicologie, équipe de Pharmacocinétique, BP 6203, Rabat Instituts, Rabat, Morocco;4. Department of Chemistry, College of Sciences and Humanities, Prince Sattam bin Abdulaziz University, P.O. Box 83, Al Kharj 11942, Saudi Arabia;5. Department of Chemistry, Tulane University, New Orleans, LA 70118, USA;1. LCBAE, Equipe Chimie Moléculaire et Molécules Bioactives, Faculté des Sciences Université Moulay Ismail, BP 11201, Zitoune, Meknès, Morocco;2. Laboratoire de Chimie des Matériaux et Biotechnologie des Produits Naturels, E.Ma.Me.P.S., Université Moulay Ismail, Faculté des Sciences, Meknès, Morocco;1. Department of Physics, T.K.M. College of Arts and Science, Karicode, Kollam, Kerala, 691 005, India;2. Laboratory of Medicinal Chemistry, Faculty of Medicine and Pharmacy, University Mohammed V, Rabat, Morocco;3. Physicochemical Service, Drugs Quality Control Laboratory, Division of Drugs and Pharmacy, Ministry of Health, 10100, Rabat, Morocco;4. Laboratory of Pharmacology and Toxicology, Pharmacokinetic Research Team, Faculty of Medicine and Pharmacy, University Mohammed V, Rabat, Morocco;5. University of Novi Sad, Faculty of Sciences, Department of Physics, Trg D. Obradovića 4, 21000, Novi Sad, Serbia;6. University of Novi Sad, Faculty of Sciences, Department of Chemistry, Biochemistry and Environmental Protection, Trg D. Obradovića 3, 21000, Novi Sad, Serbia;7. LCAE, Department of Chemistry, Faculty of Sciences, University Mohamed I, Oujda, Morocco |
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| Abstract: | Series of 1,2,4-triazole Schiff bases (2a-2d, 2f-2h and 3a-3h) have been designed and synthesized. The structure of title compounds was confirmed on the basis of their spectral data and elemental analysis. All the target compounds were screened for their in vitro antifungal activity and antibacterial activity. Two of the tested compounds (2a and 2b) exhibited significant antifungal activity against most fungi, especially compound 2a showed better antifungal activity than triadimefon. Meanwhile, the antibacterial activity assay also indicated compound 2a exhibited excellent antibacterial activities comparable to chloramphenicol. The SAR manifested no substitution at position 5 of the triazole ring caused an increase in activity, and 3-phenoxy phenyl group introduced in 1,2,4-triazole scaffold can enhance the antibacterial activity. The DFT calculation indicated triazole ring, S atom and benzene ring in both of the 2a and 3a make a major contribution to the activity. |
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| Keywords: | Synthesis 1 2 4-Triazole Biological activity DFT calculation |
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