{"id":11400,"date":"2025-09-01T13:04:05","date_gmt":"2025-09-01T13:04:05","guid":{"rendered":"https:\/\/en.copharm.uobaghdad.edu.iq\/?p=11400"},"modified":"2025-09-01T13:05:48","modified_gmt":"2025-09-01T13:05:48","slug":"in-silico-molecular-docking-studies-synthesis-characterization-and-preliminary-anti-inflammatory-and-antimicrobial-evaluation-of-new-pyrazoline-derivatives-bearing-heterocyclic-scaffolds","status":"publish","type":"post","link":"https:\/\/en.copharm.uobaghdad.edu.iq\/?p=11400","title":{"rendered":"In-Silico Molecular Docking Studies, Synthesis, Characterization, and Preliminary Anti-inflammatory and Antimicrobial Evaluation of New Pyrazoline Derivatives Bearing Heterocyclic Scaffolds"},"content":{"rendered":"

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The College of Pharmacy discussed the MSc thesis entitled \u201cIn-Silico Molecular Docking Studies, Synthesis, Characterization, and Preliminary Anti-inflammatory and Antimicrobial Evaluation of New Pyrazoline Derivatives Bearing Heterocyclic Scaffolds\u201d by the student Mohammed Chasib Mawla and the supervisor, Assistant Professor Tagreed N. A. Omar, at the Pharmaceutical Chemistry Department.<\/span><\/p>\n

The study aimed to synthesize new pyrazoline derivatives that have heterocyclic scaffolds and evaluate their preliminary pharmacological properties, as well as their anti-inflammatory and antimicrobial activities.<\/span><\/p>\n

The study included synthesizing new pyrazoline derivatives bearing heterocyclic scaffolds, and studying their absorption, distribution, metabolism, and excretion (ADME) properties. In addition, the study involved preliminary pharmacological evaluation of the synthesized compounds for their anti-inflammatory properties by using the egg white-induced edema method, as well as in vitro evaluation of their antimicrobial activity against Staphylococcus aureus<\/em>, Streptococcus pyogenes<\/em>, Escherichia coli<\/em>, Pseudomonas aeruginosa<\/em>, and Candida albicans<\/em> using the well diffusion method and molecular docking.<\/span><\/p>\n

The results showed that the target compounds were successfully synthesized, which was confirmed using attenuated total reflectance Fourier-transform infrared (ATR-FTIR), proton nuclear magnetic resonance (\u00b9H-NMR), carbon-13 nuclear magnetic resonance (\u00b9\u00b3C-NMR), and mass spectrometry techniques. Also, ADME studies showed that all the designed compounds were highly absorbed from the gastrointestinal tract. Moreover, the synthesized pyrazoline derivatives demonstrated promising anti-inflammatory, antibacterial, and antifungal activities, with supportive computational and in vivo data, thereby highlighting their potential as therapeutic agents for global health challenges.<\/span><\/p>\n

The study recommended investigating lipophilicity (log P) and chemical stability under varying pH conditions through extended hydrolysis studies. Also, evaluating the cytotoxicity and anticancer potential of these derivatives against various cancer cell lines, in addition to exploring the detailed pharmacodynamics and long-term toxicity profiles of these compounds for a better understanding of their therapeutic potential.<\/span><\/p>\n

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