Design, Synthesis, Antimicrobial Evaluation, DFT Analysis, Molecular Docking and Molecular Dynamics Studies of Thiadiazol–Hydrazine Derivatives as Potential Dihydrofolate Reductase Inhibitors

Rational design, synthesis, and antimicrobial evaluation of novel 1,2,3-triazole hybrids: structure–activity relationships, molecular docking, and DFT studies

The results suggest that the 2,4-dichlorophenyl–1,2,3-triazole scaffold represents a promising starting point for further optimization, with antimicrobial activity governed by a balance between electronic properties and physicochemical factors influencing membrane permeability.

Novel thiazolo[5,4-b]pyridine–sulfonamide conjugates: Synthesis, structure–activity relationship, and molecular docking studies

It is suggested that thiazolo[5,4-b]pyridine–sulfonamide hybrids represent promising scaffolds for the development of new antimicrobial agents.

Multi-Target Therapeutic Potential of Novel Pyrazole and Pyrazoline Derivatives: Antioxidant Activity, Antibacterial Efficacy and In Silico Predicted TRPV1 Modulation

Rational design and synthesis of sulfonamide-substituted coumarinyl-imidazolone hybrids against multidrug-resistant microbial strains: computational and biological evaluation studies.

In vitro findings identified compounds 6a, 6m, and 6n as potent leads, exhibiting significant antimicrobial activity with minimum inhibitory concentration values ranging from 15 to 500 µg/mL and antioxidant activity with DPPH IC50 values of 6.35 ± 0.51 μM, respectively.

Design and Synthesis of Novel Pyrazole-1,3,4-thiadiazine-Isoxazole Hybrids as Potent Antibacterial and Antibiofilm Agents: An Integrated In Vitro and In Silico Study

Pyrazole-1,3,4-thiadiazine-linked isoxazole derivatives, specifically 6n and 6o, are identified as potential candidates for the development of novel antibacterial and antibiofilm drugs.

Molecular Diagnostic Studies and Synthesis of Bis-sulfonamide Triazine Derivatives as Antibacterial Agents: Insights from Molecular Docking: Insights from Molecular Docking

These triazine-based bis-sulfonamide derivatives represent a promising therapeutic scaffold for the development of next-generation bacterial DNA topoisomerase inhibitors and are evaluated for their in vitro antibacterial efficacy and non-cytotoxic profiles.