Discovering biological efficacy of new thiadiazole as effective inhibitors of urease, glycation, and (DPPH) scavengers: Biochemical and in silico study

• Published in: Journal of Molecular Structure
• Main Author: Taha M.; Imran S.; Rahim F.; Uddin N.; Iqbal N.; Khan K.M.; Farooq R.K.; Alomari M.; Islam I.; Algheribe S.
• Format: Article
• Language: English
• Published: Elsevier B.V. 2023
• Online Access: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85141287162&doi=10.1016%2fj.molstruc.2022.134449&partnerID=40&md5=31cc37b083234dc40107e9711af90b0d
• ISSN: 222860
• DOI: 10.1016/j.molstruc.2022.134449

Thiadiazole is a potential class of α-glucosidase, β-glucuronidase, and anti-leishmanial inhibitors. Our aim was to develop thiadiazole based dual inhibitors for urease glycation inhibition and (DDPH) scavenging activity. Pyridine-based-thiadiazole analogs (1–18) were synthesized and characterized through 1H NMR, 13C NMR, EI-HRMS. All synthesized compounds were new and showed good inhibition ranging between IC50 value (0.70 ± 0.010 to 21.10 ± 0.90 μM) when compared with standard thiourea (21.40 ± 0.21 μM). Among the series, analog 13 having IC50 value (0.70 ± 0.010) showed the most potent inhibition. All synthesized compounds screened for their antioxidant and antiglycation inhibitory effect, and they showed good inhibition for both. The binding interactions with urease enzyme with active inhibitors studied via molecular docking studies. The compound 13 showed potent urease, antiglycation and (DPPH) scavenging activity and showed its character as dual inhibitor. © 2022 Elsevier B.V.