Synthesis of novel conjugated benzofuran-triazine derivatives: Antimicrobial and in-silico molecular docking studies
Zahra Riyahi,
Parvin Asadi,
Farshid Hassanzadeh,
Elahe Khodamoradi,
Alexa Gonzalez,
Mahmood Karimi Abdolmaleki
Affiliations
Zahra Riyahi
Department of Chemistry, Shahreza Branch, Islamic Azad University, P.O. Box 311-86145, Shahreza, Isfahan, Iran
Parvin Asadi
Department of Medicinal Chemistry, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, 81746-73461, Iran; Isfahan Pharmaceutical Sciences Research Center, Isfahan University of Medical Sciences, Isfahan, Iran; Corresponding author. Department of Medicinal Chemistry, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, 81746-73461, Iran.
Farshid Hassanzadeh
Department of Medicinal Chemistry, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, 81746-73461, Iran
Elahe Khodamoradi
Department of Pharmaceutical Biotechnology, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, Iran
Alexa Gonzalez
Department of Nursing, Texas A&M International University, Laredo, TX 78041, USA
Mahmood Karimi Abdolmaleki
Department of Physical and Environmental Sciences, Texas A&M University-Corpus Christi, 6300 Ocean Drive, Corpus Christi, TX 78412, USA; Corresponding author.
Two new developments of antibacterial agents, a series of benzofuran-triazine based compounds (8a-8h) were designed and synthesized. The derivatives were prepared through conventional chemical reactions and structurally characterized with FT-IR, 1H and 13C NMR techniques. The antibacterial activity of the synthesized derivatives was assessed against gram-positive bacterial strains (Bacillus subtilis, and Staphylococcus aureus) and gram-negative bacterial strains (Salmonella entritidis and Escherichia coli). Compound 8e, with the MIC value of 125-32 μg/μl against all the examined strains of bacteria, was the most active antibacterial compound. The synthesized derivatives were also studied for docking to the binding sites of dihydrofolate reductase (DHFR) receptor which has a key role in drug resistance associated with bacterial infections. The synthesized compounds showed good interaction with the targets through hydrogen bonding and hydrophobic interactions. According to antibacterial and docking studies, compound 8e could be introduced as a candidate for development of antibacterial compounds.
