Synthesis of novel quinoline-based thiadiazole,evaluation of their antileishmanial potential and molecular docking studies |
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| Institution: | 1. Department of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia;2. Department of Chemistry, Hazara University, Mansehra 21300, Pakistan;3. Department of Biochemistry, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan;4. Atta-ur-Rahman Institute for Natural Product Discovery, Universiti Teknologi MARA (UiTM), Puncak Alam Campus, 42300 Bandar Puncak Alam, Selangor D.E., Malaysia;5. College of Computer Science & Information Technology (CCSIT), Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia;1. Université de Toulouse, UPS, UMR 152 Pharma-DEV, Université Toulouse 3, Faculté des sciences pharmaceutiques, 35 Chemin des maraîchers, F-31062 Toulouse Cedex 9, France;2. Institut de Recherche pour le Développement, IRD, UMR 152 Pharma-DEV, F-31062 Toulouse Cedex 9, France;3. CNRS, LCC (Laboratoire de Chimie de Coordination), 205 Route de Narbonne, BP 44099, F-31077 Toulouse Cedex 4, France;4. Université de Toulouse, UPS, INPT, F-31077 Toulouse Cedex 4, France;1. Laboratorio de Química Medicinal y Heterociclos, Departamento de Química, Universidad Simón Bolívar, Valle de Sartenejas, Baruta, Caracas 1080-A, Apartado 89000, Venezuela;2. Laboratorio de Bioquímica, Estructura y Función de Proteínas, Área de Salud, Instituto de Estudios Avanzados (IDEA), Caracas, Venezuela;3. Laboratorio de Biología y Quimioterapia de Parasitosis Tropicales, Área de Salud, Instituto de Estudios Avanzados (IDEA), Caracas, Venezuela;4. Laboratorio de Neuropéptidos, Unidad de Farmacología, Facultad de Farmacia, Universidad Central de Venezuela, Apartado 47206, Los Chaguaramos, 1041-A, Caracas, Venezuela;1. Departamento de Ciencias Biomédicas, Universidad de León, Campus de Vegazana s/n, 24071, León, Spain;2. Departamento de Química Orgánica I, Facultad de Farmacia and Centro de Investigación Lascaray (Lascaray Research Center), Universidad del País Vasco/Euskal Herriko Unibertsitatea (UPV/EHU), Paseo de la Universidad 7, 01006, Vitoria-Gasteiz, Spain;1. Department of Chemistry, Hazara University, Mansehra 21300, Khyber Pakhtunkhwa, Pakistan;2. Department of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia;3. Department of Biochemistry, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan;4. Monash University School of Chemical Engineering, Bandar Subway, 47500 Selangor Alam Campus, 42300, Malaysia;5. Department of Biochemistry, Hazara University, Mansehra 21300, Khyber Pakhtunkhwa, Pakistan;6. Atta-ur-Rahman Institute for Natural Products Discovery (AuRIns), Universiti Teknologi MARA Cawangan Selangor Kampus Puncak Alam, 42300 Bandar Puncak Alam, Selangor D. E., Malaysia.;7. Faculty of Pharmacy, Universiti Teknologi MARA Cawangan Selangor Kampus Puncak Alam, 42300 Bandar Puncak Alam, Selangor D. E., Malaysia;8. Department of Chemistry, University of Karachi, Karachi 75270, Pakistan;9. Department of Computer Information Systems, College of Computer Science & Information Technology (CCSIT), Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia;1. Dr. Rafiq Zakaria Campus, Y.B. Chavan College of Pharmacy, Aurangabad 431001, (M.S.), India;2. Department of Biotechnology, Savitribai Phule Pune University, Pune 411007, (M.S.), India;3. Department of Chemistry, Jawahar Art Science and Commerce College, Andur, Osmanabad 413603, (M.S.), India;4. Materials Research Laboratory, Srikrishna Mahavidyalaya Gunjoti, Omerga, Osmanabad 413 613, (M.S.), India;5. Shivaji University, Vidyanagar, Kolhapur 416 004, (M.S.), India;1. Department of Chemistry, Hazara University, Mansehra 21300, Khyber Pakhtunkhwa, Pakistan;2. Department of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia;3. Department of Biochemistry, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan;4. Department of Conservation Sciences, Hazara University, Mansehra 21300, Pakistan;5. Atta-ur-Rahman Institute for Natural Products Discovery (AuRIns), Universiti Teknologi MARA Cawangan Selangor Kampus Puncak Alam, 42300 Bandar Puncak Alam, Selangor D. E., Malaysia;6. Faculty of Pharmacy, Universiti Teknologi MARA Cawangan Selangor Kampus Puncak Alam, 42300 Bandar Puncak Alam, Selangor D. E., Malaysia;7. Chemistry Department, King Fahd University of Petroleum and Minerals, Dhahran 31261, Saudi Arabia;8. Department of Computer Information Systems, College of Computer Science & Information Technology (CCSIT), Imam Abdulrahman Bin Faisal University, P.O. Box 1982, Dammam 31441, Saudi Arabia |
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| Abstract: | New series of quinoline-based thiadiazole analogs (1–20) were synthesized, characterized by EI-MS, 1H NMR and 13C NMR. All synthesized compounds were subjected to their antileishmanial potential. Sixteen analogs 1–10, 12, 13, 16, 17, 18 and 19 with IC50 values in the range of 0.04 ± 0.01 to 5.60 ± 0.21 µM showed tremendously potent inhibition as compared to the standard pentamidine with IC50 value 7.02 ± 0.09 µM. Analogs 11, 14, 15 and 20 with IC50 8.20 ± 0.35, 9.20 ± 0.40, 7.20 ± 0.20 and 9.60 ± 0.40 µM respectively showed good inhibition when compared with the standard. Structure-activity relationships have been also established for all compounds. Molecular docking studies were performed to determine the binding interaction of the compounds with the active site target. |
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| Keywords: | Synthesis Quinoline Thiadiazole Antileishmanial SAR Molecular docking studies |
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