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June 20, 2026Russian Journal of Bioorganic Chemistry

Synthesis, Docking, and Biological Properties of 2-Phenyl-5,6,7,8-tetrahydroquinazoline-4(3H)-thione Derivatives

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Authors

MSM. S. SafaryanRMR. A. MadoyanASA. G. Sukiasyan

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Overview

Randomized trial evaluates antimicrobial properties of quinazoline derivatives, indicating potential for drug development.

Key Points

  • The study aims to synthesize derivatives of 2-phenyl-5,6,7,8-tetrahydroquinazoline-4(3H)-thione and assess their antimicrobial activities and docking affinities.
  • S-alkylated and hybrid derivatives were synthesized from 2-phenyl-5,6,7,8-tetrahydroquinazoline-4(3H)-thione using various alkylating agents and condensations.
  • Antibacterial and antifungal activities were tested using the agar diffusion method against specific bacterial and fungal strains.
  • Molecular docking studies were performed using AutoDock Vina to evaluate binding affinities to protein targets.
  • S-alkylated derivatives 3a–3e demonstrated moderate to good antibacterial and antifungal activity.
  • Hybrid 14b showed the highest binding affinity to RdRp of SARS-CoV-2 with ΔG° of –9.4 kcal/mol, comparable to remdesivir.
  • Hybrid 9 exhibited exceptional binding to MAPK14 with ΔG° of –13.15 kcal/mol, exceeding known inhibitors.

Cite This Study

Safaryan et al. (2026) studied this question.

synapsesocial.com/papers/6a3630f5db0793dc1a538010https://doi.org/10.1134/s1068162025604410
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