LAUSR.org creates dashboard-style pages of related content for over 1.5 million academic articles. Sign Up to like articles & get recommendations!

Synthesis, ADME, Molecular Docking, and Biological Evaluation of New 2-Aminobenzothiazloes

In recent years, 2-aminobenzothiazoles were reported as antibacterial, antihelmintic, antitumor, antimalarial, antiviral, analgesic and anti-inflammatory agents. The study aimed to explore new potential 2-aminobenzothiazoles as antibacterial and anthelmintic agents. A… Click to show full abstract

In recent years, 2-aminobenzothiazoles were reported as antibacterial, antihelmintic, antitumor, antimalarial, antiviral, analgesic and anti-inflammatory agents. The study aimed to explore new potential 2-aminobenzothiazoles as antibacterial and anthelmintic agents. A favorable two-step method was used for the synthesis of new 2-aminobenzothiazole derivatives (4a-4j) by Schiff base. All synthesized compounds were tested for antibacterial activity using an in vitro cup-plate method and antihelmintic activity using in vitro earthworm paralysis and death method. Pharmacokinetics in silico studies were performed to predict the drug performance in the body using the Molinspiration kit. The molecular docking was performed to check the catalytic binding site between the dihydrofolate reductase and synthesized compounds (4a-4j). The compound 4d emerged as the most effective vermifuge and vermicide among all tested compounds. The compounds 4c, 4f, 4g, 4i and 4j were examined as highly potent against gram-positive bacteria. The compounds 4b, 4h, and 4i showed maximum inhibition against gram-negative bacteria. In molecular docking, the compounds 4c and 4j showed a good binding orientation in the catalytic binding pocket of the DHFR receptor (PDB ID: 4LAE). These synthesized compounds could have evolved to shape orally active compounds shown in pharmacokinetics in silico studies. The research outcomes showed that explored 2-aminobenzothiazoles have good anti-bacterial and anthelmintic activity.

Keywords: molecular docking; biological evaluation; synthesis adme; adme molecular; docking biological; synthesized compounds

Journal Title: Current Bioactive Compounds
Year Published: 2023

Link to full text (if available)


Share on Social Media:                               Sign Up to like & get
recommendations!

Related content

More Information              News              Social Media              Video              Recommended



                Click one of the above tabs to view related content.