Discovery of new molecular hybrid derivatives with coumarin scaffold bearing pyrazole/oxadiazole moieties: Molecular docking, POM analyses, in silico …

G Tataringa, C Tuchilus, M Ahmed, S Ahmed… - Bioorganic …, 2024 - Elsevier
This synthetic organic methodology involves the creation of novel coumarin-based hybrids
of series (1–4) with pyrazole ring and (5–8) with oxadiazole moiety. The targeted …

Design, synthesis and antibacterial activity of new Isatin-based Schiff base derivatives: Molecular docking, POM analysis, in silico pharmacokinetics and identification …

P Meshram, R Dongre, M Ahmed, S Ahmed… - Journal of Molecular …, 2025 - Elsevier
In this study, we have reported a series of Isatin-based Schiff base derivatives G (1–5), the
formation of the synthesized compounds was confirmed by Spectro analytical techniques …

Design, Synthesis, and Biological Evaluation of Benzo [d] oxazole-2-thio and Oxazolo [4, 5-b] pyridine-2-thio Derivatives: Molecular Docking, POM Analysis, In Silico …

PB Gour, S Ahmed, R Gajendhiran… - Journal of Molecular …, 2025 - Elsevier
A series of bioactive benzo [d] oxazole-2-thio and oxazolo [4, 5-b] pyridine-2-thio derivatives
(7a–h) have been synthesized and evaluated for their antimicrobial activities. The synthesis …

Sajjad Hossain

J Ferdaous, T Eakin - … Techniques for Drug Discovery and Design, 2025 - books.google.com
The field of drug design has witnessed a paradigm shift with the advent of computational
approaches. This chapter provides a comprehensive overview of the computational …