Antibacterial Activities and Molecular Docking of Novel Sulfone Biscompound Containing Bioactive 1,2,3-Triazole Moiety

Abstract

In this study, a new synthetic 1,2,3-triazole-containing disulfone compound was derived from dapsone. Its chemical structure was confirmed using microchemical and analytical data, and it was tested for its in vitro antibacterial potential. Six different pathogenic bacteria were selected. MICs values and ATP levels were determined. Further, toxicity performance was measured using MicroTox Analyzer. In addition, a molecular docking study was performed against two vital enzymes: DNA gyrase and Dihydropteroate synthase. The results of antibacterial abilities showed that the studied synthetic compound had a strong bactericidal effect against all tested bacterial strains, as Gram-negative species were more susceptible to the compound than Gram-positive species. Toxicity results showed that the compound is biocompatible and safe without toxic impact. The molecular docking of the compound showed interactions within the pocket of two enzymes, which are able to stabilize the compound and reveal its antimicrobial activity. Hence, from these results, this study recommends that the established compound could be an outstanding candidate for fighting a broad spectrum of pathogenic bacterial strains, and it might therefore be used for biomedical and pharmaceutical applications.

Investigation of Novel Mucorales Fungal Inhibitors: Synthesis, In‐Silico Study and Anti‐Fungal Potency of Novel Class of Coumarin‐6‐Sulfonamides‐Thiazole and Thiadiazole Hybrids

“…Over the past few years, compounds containing thiazole and/or thiadiazole scaffold are attractive to medicinal chemistry due to their unique chemical properties and diversity of the biological activities [20–25] . Therefore, they have therapeutic effects against several diseases such as antimalarial, antimicrobial, antiproliferative agents and anti‐inflammatory [26–30] besides their significant with various fungicidal activities [31,32] .…”

“…[18][19][20] Over the past few years, compounds containing thiazole and/or thiadiazole scaffold are attractive to medicinal chemistry due to their unique chemical properties and diversity of the biological activities. [20][21][22][23][24][25] Therefore, they have therapeutic effects against several diseases such as antimalarial, antimicrobial, antiproliferative agents and anti-inflammatory [26][27][28][29][30] besides their significant with various fungicidal activities . [31,32] In addition, many scientific reported have also demonstrated that the sulfonamide moiety itself possess interesting pharmacological activities and therapeutic functions.…”

Solvent-Free Synthesis, In Vitro and In Silico Studies of Novel Potential 1,3,4-Thiadiazole-Based Molecules against Microbial Pathogens

“…Furthermore, many studies indicated that extended spectrum β-lactamase-producing Enterobacteriaceae (ESBL-PE) and Pseudomonas aeruginosa can persist in the presence of several antibiotics through biofilm accumulation. In this way, the high resistance of different pathogens is increasingly identified as the cause for predominant causative pathogens in patients due to antibiotic misuse [1][2][3]. Consequently, the investigation of new heterocyclic compounds to encounter antibiotic resistance is among the most important aspects of preliminary pharmaceutical research.…”

“…On the other hand, solvent-free organic synthesis is of great interest to introduce classical methods that are safer, cleaner, and easier to perform. Reactions without any solvent support can be employed with significant increases in reactivity and selectivity [2,[20][21][22][23][24].…”

Synthesis, Identification, Computer-Aided Docking Studies, and ADMET Prediction of Novel Benzimidazo-1,2,3-triazole Based Molecules as Potential Antimicrobial Agents

“…Benzimidazole derivatives represent an important heterocyclic class of active therapeutic agents because of their wide spectrum of biological and pharmaceutical applications including antibacterial, antifungal, antiviral, anticancer, antidiabetic, anticonvulsant, and anti-HIV agents [ 5 , 6 ]. In addition, 1,2,3-triazoles have attracted a great deal of interest from medicinal chemists in the design and development of potential drug candidates due to their high pharmacological properties such as antimicrobial, antitubercular, CNS depressant, and antihypertensive activities [ 7 , 8 , 9 , 10 , 11 , 12 ]. They have diverse applications in drug development for the treatment of some diseases including cancer, inflammation, malaria, and tuberculosis [ 13 , 14 , 15 ].…”