Design, In Vitro Antimicrobial Evaluation, and In Silico Drug-Likeness Assessment of Novel Pyrazoline Derivatives
Year: 2025
Type: article
Abstract: The present study reports the synthesis, In vitro antimicrobial evaluation, and in silico drug-likeness prediction of a novel series of pyrazoline derivatives (4a–4h). Antimicrobial activity was evaluated using the cup plate method against a panel of bacterial and fungal pathogens. The zone of inhibition was measured to assess antibacterial and antifungal efficacy. In silico studies were performed using a Python-based RDKit tool to determine key physicochemical parameters, ADME properties, and toxicity predictions. Compound 4h exhibited the most potent activity against all tested strains. All compounds showed favorable drug-likeness and high gastrointestinal absorption, with no AMES toxicity flags
Source: Journal of Neonatal Surgery
Authors: Alka Yadav, Sunita Gangwar, Udai Bhan Singh Rathore, Neeraj Sharma, Praveen Sharma
Institutions: Bhagwant University, M.J.P. Rohilkhand University, IPS Academy
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4412964397