Biological Activities, DFT and Molecular Docking Studies of Novel Schiff Bases Derived from Sulfamethoxypyridazine

Author:

Wajid Muhammad12,Uzair Muhammad2,Muhammad Gulzar3,Siddique Farhan24ORCID,Ashraf Adnan5,Ahmad Sajjad678,Alasmari Abdullah F.9

Affiliation:

1. Gulab Devi Institute of Pharmacy GDEC Lahore Pakistan

2. Department of Pharmaceutical Chemistry Faculty of Pharmacy Bahauddin Zakariya University Multan 60800 Pakistan

3. Department of Chemistry Government College University 54000 Lahore Pakistan

4. School of Pharmaceutical Science and Technology Tianjin University Tianjin 300072 P. R. China

5. Department of Chemistry University of Lahore Lahore Pakistan

6. Department of Health and Biological Sciences Abasyn University Peshawar 25000 Pakistan

7. Gilbert and Rose-Marie Chagoury School of Medicine Lebanese American University P.O. Box 36 Beirut Lebanon

8. Department of Natural Sciences Lebanese American University P.O. Box 36 Beirut Lebanon

9. Department of Pharmacology and Toxicology College of Pharmacy King Saud University, P.O. Box 2455 Riyadh 11451 Saudi Arabia

Abstract

AbstractThe present study reported the synthesis and biological activities of sulfamethoxypyridazine (SMPR) Schiff bases (SBs) with different aromatic aldehydes. The antimicrobial potential of SBs against various pathogenic strains (S. epidermidis, E. coli, S. agalactiae, S. aureus, S. typhi, K. pneumoniae, C. albicans, and C. tropicalis) was explored by disc diffusion method. The antidiabetic potential was monitored by inhibition of α‐amylase, α‐glucosidase, and anti‐inflammatory activity was studied by protein denaturation assay. The binding of protein with SBs was determined by MOE docking. The synthesized SBs reveal significant antimicrobial potential against all strains (p values<0.0001) better than the parent drug SMPR but less than amoxicillin. The synthesized SBs exhibited reasonable inhibition potential against α‐glucosidase, α‐amylase, and anti‐inflammatory activity. The derivative 10 a depicted antioxidant (IC50 value 12.18 μg/mL) and anti‐inflammatory (IC50 value 49.37 μg/mL) even better than standard ascorbic acid and diclofenac sodium (IC50 values 49.92 and 123.81 μg/mL), respectively. Molecular docking results revealed that synthesized SBs have good binding affinities towards different receptor proteins and results support our experimental results. The electronic properties have been calculated using density function theory (DFT) to determine the chemical reactivity of studied compounds. The low energy gap between Frontier Molecular Orbitals (FMOs) revealed the significant chemical reactivity of compounds 8 a and 10 a, among other compounds.

Publisher

Wiley

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