Synthesis, Molecular Docking, Pharmacokinetics, Dft Studies And Evaluation Of Antibacterial And Antioxidant Activities Of Sulfathiazole Derivatives

Abstract

Thiazole Is A Five-Membered Unsaturated Heterocyclic Compound Containing One Sulfur And One Pyridine-Type Nitrogen Atom At Position Three Of The Cyclic Ring System. Thiazole Containing Compound Found In Many Natural Products And Have Therapeutic Effects Against Several Diseases. Sulfathiazole Derivatives Modified With Thiazole Ring Synthesized And Reported With Potential Biological Properties. Currently, Synthetic Modifications Of Sulfathiazole Derivatives Become An Interesting Approach To Enhance Their Biological Properties In Line With Their Applications. As A Result, Sulfathiazole Derivatives Become A Good Candidate And Potential Classes Of Organic Compound To Play An Important Role Towards Medicinal Chemistry. In Present Study, Three Novel Sulfathiazole Derivatives Aresynthesized With 45-53 % Yield. The Synthesized Compounds Are Fully Characterized Using Tlc, Melting Point And Spectroscopic Techniques (1h-Nmr And 13c-Nmr). Furthermore, The Synthesized Compounds Were Evaluated For Their In-Vitro Antibacterial Activity Against Two Gram-Negative Bacterial Strains (E. Coli, And P. Aeruginosa) And Two Gram-Positive Bacteria (S. Pyogenes And S. Aureus) By Disk Diffusion Method. Among Synthesized Compounds, Compound 107a And 107c Showed Potent Inhibitory Activity Against Gram Negative, E. Coli With 11.6??0.283 And 9.25 ?? 0.353 Mm Zone Of Inhibition Compared Tostandard Drug Sulfamethoxazole (15.7??0.707 Mm) At 50 Mg/Ml. The Radical Scavenging Activities Of These Compounds Were Evaluated Using Dpph Radical Assay And Of The Synthesized Compounds, Compound 107a And 107c Were Showed The Strongest Activity With Ic50 Values Of 1.655 And 1.757 ??G/Ml, Respectively. The Synthesized Compounds Were Evaluated For Their In Silico Molecular Docking Analysis Using Tyrosyl-Trna Synthetase And Were Found To Have Minimum Binding Energy Ranging From ?��?7.4 To ?��?10.4 Kcal/Mol.Compound 107a And 107c Scored Better Docking Efficiency With Binding Affinity Of ?��? 9.3kcal/Mol And ?��? 10.4 Kcal/Mol Respectively. The Result Of In Silico Molecular Docking Study Of The Synthetic Compounds Against S. Aureus Tyrosyl-Trna Synthetase Was In Good Agreement With In Vitro Antibacterial Analysis. The Drug Likeness Of The Synthes