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Open access Oct 2026

Synthesis, Electronic Structure Analysis, Pharmacological Evaluation and Molecular Dynamics Investigation of Pyrazole-Triazole Derivative as a Computationally Predicted FGFR-Targeting Candidate Against Glioblastoma

Glioblastoma remains a highly invasive brain tumour with limited therapeutic options, highlighting the need for novel FGFR-targeted inhibitors. The objective of the work to explore structural characteristics, electronic behaviour and pharmacological potential of 5-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-1,2,4-tri...

K. Kalaimathi, S. Tamilselvan, M. Nikpassand et al. · 0 citations
Sep 2026

Molecular Recognition of Dopamine–Diazepam Biomolecular Complex for Implication in Anxiety Disorders Using the DFT and Molecular Docking Methods

The present work focuses on the Molecular recognition of the dopamine–diazepam biomolecular complex in anxiety disorders using computational methods. The monomers and the neurotransmitter (dopamine)–diazepam biomolecular complex are optimized, and molecular properties are calculated using density functional theory...

L. Willingson, A. Saral, T. Devi · 0 citations

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