Insights into Novel Tetrazole-Encompassing 1,2,3-Triazoles as Antimicrobial and Anti-TB Agents: Synthesis, ADME-Tox, and In Silico Molecular Docking
Abstract
Abstract Objective: The 1,2,3-triazole nucleus exhibits various biological activities and is an integral part of many naturally occurring and synthetic heterocyclic derivatives. This study aims to synthesise and evaluate the antimicrobial and anti-TB efficacy of a series of 1,2,3-triazole-linked tetrazole derivatives as potential therapeutic agents against antibiotic-resistant bacteria and TB. Methods: A new kind of 1,2,3-triazolyl-tetrazoles bearing cycloheptapyridinone conjugates was synthesised using click chemistry. HRMS spectrometry, FT-IR, and NMR (1H and 13C) were all utilised to characterise each of the recently generated scaffolds. The antimicrobial and antitubercular activities of the newly synthesised hybrids were assessed by minimum inhibitory concentration (MIC) measurements, and computational studies were conducted using AutoDock Tools. Results and Discussion: All synthesised compounds possess an active 1,2,3-triazole moiety in their structure, and the cycloheptapyridinone nucleus has a hydroxy group at the 9th position. According to the results obtained, tetrazole compounds VIIId, VIIIh, and VIIIi were particularly effective at inhibiting the growth of all tested bacteria, with MIC values ranging from 0.983 to 16.762 μg/mL; compared to moxifloxacin (MXF) (2.191 to 10.01 μg/mL). The highest antitubercular properties were shown by compounds VIIId and VIIIi, with MIC values of 2.20 and 2.10 μg/mL against the H37Rv strain. Furthermore, compounds VIIIb, VIIIh, and…
How strong is the evidence?
Evidence Hub reads this as a simulation / modelling, done in computer models (in silico), not in people. Its evidence level is 5 of 5 (Very low · case / narrative / animal / in vitro / in silico). Case reports, narrative reviews, and animal, cell or computer-model studies give the weakest evidence for human health.
Read the paper
Related studies
- Synthesis, In Vitro and In Silico Molecular Docking Studies of Novel Phthalimide–Pyrimidine Hybrid Analogues to Thalidomide as Potent Antitubercular Agents
- Exploring the inhibitory performance of expired moxifloxacin and norfloxacin on copper corrosion in saline environment
- Molecular investigation of antimicrobial peptides against Helicobacter pylori proteins using a peptide-protein docking approach
- Screening of novel narrow-spectrum benzofuroxan derivatives for the treatment of multidrug-resistant tuberculosis through in silico, in vitro, and in vivo approaches
- Synthesis, Characterization, Anticancer, Antioxidant, and In Silico Evaluation of Semicarbazides and Thiosemicarbazides
- Fast and accurate prediction of drug induced proarrhythmic risk with sex specific cardiac emulators
Go deeper in Evidence Hub
Evidence Hub adds a study data sheet (design, sample size, evidence level, key numbers), an AI summary and a chat grounded in the paper's text.