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Design, synthesis, characterization, pharmacological evaluation and in silico ADMET and molecular docking and dynamics simulations of a novel series of N-substituted pyrazole from chalcone derivatives.

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Title: Design, synthesis, characterization, pharmacological evaluation and in silico ADMET and molecular docking and dynamics simulations of a novel series of N-substituted pyrazole from chalcone derivatives.
Authors: Hafez HN; Photochemistry Department, Chemical Industries Research Institute, National Research Centre, Dokki, 12622, Giza, Egypt. dr.hendhafez@yahoo.com., Otaif HY; Collage of Science, Department of Physical Sciences, Chemistry Division, Jazan University, P.O. Box: 114, Jazan, 45142, Saudi Arabia., Alshammari BH; Collage of Science, Department of Chemistry, University of Hail, P.O. Box: 2440, Hail, Saudi Arabia., Alhebshe NS; Collage of Science, Department of Physical Sciences, Chemistry Division, Jazan University, P.O. Box: 114, Jazan, 45142, Saudi Arabia., El-Sayed AF; Microbial Genetics Department, Biotechnology Research Institute, National Research Centre, Dokki, 12622, Giza, Egypt.; Egypt Center for Research and Regenerative Medicine (ECRRM), Cairo, Egypt., Abbas HS; Photochemistry Department, Chemical Industries Research Institute, National Research Centre, Dokki, 12622, Giza, Egypt., Ammar RA; Collage of Science, Department of Chemistry, Al Azhar University, Cairo, 11751, Egypt.
Source: Scientific reports [Sci Rep] 2026 Mar 01; Vol. 16 (1). Date of Electronic Publication: 2026 Mar 01.
Publication Type: Journal Article
Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE; In Process
Database: MEDLINE Ultimate
Description
ISSN:2045-2322
DOI:10.1038/s41598-026-38237-9