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. |
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| 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 |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 41765958 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: 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. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Hafez+HN%22">Hafez HN</searchLink>; Photochemistry Department, Chemical Industries Research Institute, National Research Centre, Dokki, 12622, Giza, Egypt. dr.hendhafez@yahoo.com.<br /><searchLink fieldCode="AU" term="%22Otaif+HY%22">Otaif HY</searchLink>; Collage of Science, Department of Physical Sciences, Chemistry Division, Jazan University, P.O. Box: 114, Jazan, 45142, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Alshammari+BH%22">Alshammari BH</searchLink>; Collage of Science, Department of Chemistry, University of Hail, P.O. Box: 2440, Hail, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Alhebshe+NS%22">Alhebshe NS</searchLink>; Collage of Science, Department of Physical Sciences, Chemistry Division, Jazan University, P.O. Box: 114, Jazan, 45142, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22El-Sayed+AF%22">El-Sayed AF</searchLink>; Microbial Genetics Department, Biotechnology Research Institute, National Research Centre, Dokki, 12622, Giza, Egypt.; Egypt Center for Research and Regenerative Medicine (ECRRM), Cairo, Egypt.<br /><searchLink fieldCode="AU" term="%22Abbas+HS%22">Abbas HS</searchLink>; Photochemistry Department, Chemical Industries Research Institute, National Research Centre, Dokki, 12622, Giza, Egypt.<br /><searchLink fieldCode="AU" term="%22Ammar+RA%22">Ammar RA</searchLink>; Collage of Science, Department of Chemistry, Al Azhar University, Cairo, 11751, Egypt. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22101563288%22">Scientific reports</searchLink> [Sci Rep] 2026 Mar 01; Vol. 16 (1). <i>Date of Electronic Publication: </i>2026 Mar 01. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Nature+Publishing+Group%22">Nature Publishing Group </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>101563288 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>2045-2322 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2220452322%22">20452322 </searchLink><i>NLM ISO Abbreviation: </i>Sci Rep <i>Subsets: </i>MEDLINE; In Process |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=41765958 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1038/s41598-026-38237-9 Languages: – Code: eng Text: English Titles: – TitleFull: 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. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Hafez HN – PersonEntity: Name: NameFull: Otaif HY – PersonEntity: Name: NameFull: Alshammari BH – PersonEntity: Name: NameFull: Alhebshe NS – PersonEntity: Name: NameFull: El-Sayed AF – PersonEntity: Name: NameFull: Abbas HS – PersonEntity: Name: NameFull: Ammar RA IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 03 Text: 2026 Mar 01 Type: published Y: 2026 Identifiers: – Type: issn-electronic Value: 2045-2322 Numbering: – Type: volume Value: 16 – Type: issue Value: 1 Titles: – TitleFull: Scientific reports Type: main |
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