Статья

Synthesis, In Vitro Biological Evaluation and In Silico Molecular Docking Studies of Indole Based Thiadiazole Derivatives as Dual Inhibitor of Acetylcholinesterase and Butyrylchloinesterase

Shoaib KhanDepartment of Chemistry, Hazara University, Mansehra 21120, PakistanShahid IqbalDepartment of Chemistry, School of Natural Sciences (SNS), National University of Science and Technology (NUST), H-12, Islamabad 46000, PakistanMuhammad TahaDepartment of Clinical Pharmacy, Institute for Research and Medical Consultations (IRMC), Imam Abdulrah-Man Bin Faisal University, Dammam 34212, Saudi ArabiaFazal RahimDepartment of Chemistry, Hazara University, Mansehra 21120, PakistanMazloom ShahDepartment of Chemistry, Abbottabad University of Science and Technology (AUST), Abbottabad 22500, PakistanHayat UllahDepartment of Chemistry, University of Okara, Okara 56300, PakistanAli BahadurDepartment of Chemistry, College of Science and Technology, Wenzhou-Kean University, Wenzhou 325060, ChinaHamad AlrbyawiPharmaceutics and Pharmaceutical Technology Department, College of Pharmacy, Taibah University, Medina 42353, Saudi ArabiaAyed A. DeraDepartment of Clinical Laboratory Sciences, College of Applied Medical Sciences, King Khalid University, Abha 61413, Saudi ArabiaMohammed Issa AlahmdiDepartment of Chemistry, Faculty of Science, University of Tabuk, Tabuk 71491, Saudi ArabiaRami Adel PashameahDepartment of Chemistry, Faculty of Applied Science, Umm Al-Qura University, Makkah 24230, Saudi ArabiaEman AlzahraniDepartment of Chemistry, College of Science, Taif University, Taif 21944, Saudi ArabiaAbd‐ElAziem FaroukDepartment of Biotechnology, College of Science, Taif University, Taif 21944, Saudi Arabia

2022en

ABI

Аннотация

The current study was conducted to obtain hybrid analogues of indole-based thiadiazole derivatives (1–16) in which a number of reaction steps were involved. To examine their biological activity in the presence of the reference drug Donepezil (0.21 ± 0.12 and 0.30 ± 0.32 M, respectively), the inhibitory potentials of AChE and BuChE were determined for these compounds. Different substituted derivatives showing a varied range of inhibitory profiles, when compared to the reference drug, analogue 8 was shown to have potent activity, with IC50 values for AchE 0.15 ± 0.050 M and BuChE 0.20 ± 0.10, respectively, while other substituted compounds displayed good to moderate potentials. Varied spectroscopic techniques including 1H, 13CNMR and HREI-MS were used to identify the basic skeleton of these compounds. Furthermore, all analogues have a known structure–activity relationship (SAR), and molecular docking investigations have verified the binding interactions of molecule to the active site of enzymes.

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Идентификаторы

DOI: 10.3390/molecules27217368

Цитирования и источники

Цитирований: 2Использованных источников: 0

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