View in EDS

Discovery of a potential CERS2 inhibitor: hit compound identification via structure-based virtual screening and molecular dynamics simulations.

Saved in:
Bibliographic Details
Title: Discovery of a potential CERS2 inhibitor: hit compound identification via structure-based virtual screening and molecular dynamics simulations.
Authors: Yu B; Sphingolipid Metabolism and Aging, Jiangxi Key Laboratory of Aging and Disease, Human Aging Research Institute (HARI) and School of Life Science, Nanchang University, Nanchang, 330031, Jiangxi, China., Mo S; Sphingolipid Metabolism and Aging, Jiangxi Key Laboratory of Aging and Disease, Human Aging Research Institute (HARI) and School of Life Science, Nanchang University, Nanchang, 330031, Jiangxi, China., Chen Y; Sphingolipid Metabolism and Aging, Jiangxi Key Laboratory of Aging and Disease, Human Aging Research Institute (HARI) and School of Life Science, Nanchang University, Nanchang, 330031, Jiangxi, China., Hua Y; School of Basic Medical Sciences, Nanchang University, Nanchang, 330031, Jiangxi, China., Che T; School of Basic Medical Sciences, Nanchang University, Nanchang, 330031, Jiangxi, China., Zhang J; School of Basic Medical Sciences, Nanchang University, Nanchang, 330031, Jiangxi, China., Futerman AH; Department of Biomolecular Sciences, Weizmann Institute of Science, Rehovot, Israel., Duan J; Sphingolipid Metabolism and Aging, Jiangxi Key Laboratory of Aging and Disease, Human Aging Research Institute (HARI) and School of Life Science, Nanchang University, Nanchang, 330031, Jiangxi, China. duan.jingjing@ncu.edu.cn.
Source: Molecular diversity [Mol Divers] 2026 Aug; Vol. 30 (4), pp. 5411-5424. Date of Electronic Publication: 2026 Jan 03.
Publication Type: Journal Article
Journal Info: Publisher: ESCOM Science Publishers Country of Publication: Netherlands NLM ID: 9516534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-501X (Electronic) Linking ISSN: 13811991 NLM ISO Abbreviation: Mol Divers Subsets: MEDLINE
Database: MEDLINE Ultimate
FullText Text:
  Availability: 0
Header DbId: mdl
DbLabel: MEDLINE Ultimate
An: 41483315
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: Discovery of a potential CERS2 inhibitor: hit compound identification via structure-based virtual screening and molecular dynamics simulations.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AU" term="%22Yu+B%22">Yu B</searchLink>; Sphingolipid Metabolism and Aging, Jiangxi Key Laboratory of Aging and Disease, Human Aging Research Institute (HARI) and School of Life Science, Nanchang University, Nanchang, 330031, Jiangxi, China.<br /><searchLink fieldCode="AU" term="%22Mo+S%22">Mo S</searchLink>; Sphingolipid Metabolism and Aging, Jiangxi Key Laboratory of Aging and Disease, Human Aging Research Institute (HARI) and School of Life Science, Nanchang University, Nanchang, 330031, Jiangxi, China.<br /><searchLink fieldCode="AU" term="%22Chen+Y%22">Chen Y</searchLink>; Sphingolipid Metabolism and Aging, Jiangxi Key Laboratory of Aging and Disease, Human Aging Research Institute (HARI) and School of Life Science, Nanchang University, Nanchang, 330031, Jiangxi, China.<br /><searchLink fieldCode="AU" term="%22Hua+Y%22">Hua Y</searchLink>; School of Basic Medical Sciences, Nanchang University, Nanchang, 330031, Jiangxi, China.<br /><searchLink fieldCode="AU" term="%22Che+T%22">Che T</searchLink>; School of Basic Medical Sciences, Nanchang University, Nanchang, 330031, Jiangxi, China.<br /><searchLink fieldCode="AU" term="%22Zhang+J%22">Zhang J</searchLink>; School of Basic Medical Sciences, Nanchang University, Nanchang, 330031, Jiangxi, China.<br /><searchLink fieldCode="AU" term="%22Futerman+AH%22">Futerman AH</searchLink>; Department of Biomolecular Sciences, Weizmann Institute of Science, Rehovot, Israel.<br /><searchLink fieldCode="AU" term="%22Duan+J%22">Duan J</searchLink>; Sphingolipid Metabolism and Aging, Jiangxi Key Laboratory of Aging and Disease, Human Aging Research Institute (HARI) and School of Life Science, Nanchang University, Nanchang, 330031, Jiangxi, China. duan.jingjing@ncu.edu.cn.
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%229516534%22">Molecular diversity</searchLink> [Mol Divers] 2026 Aug; Vol. 30 (4), pp. 5411-5424. <i>Date of Electronic Publication: </i>2026 Jan 03.
– 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="%22ESCOM+Science+Publishers%22">ESCOM Science Publishers </searchLink><i>Country of Publication: </i>Netherlands <i>NLM ID: </i>9516534 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1573-501X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2213811991%22">13811991 </searchLink><i>NLM ISO Abbreviation: </i>Mol Divers <i>Subsets: </i>MEDLINE
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=41483315
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1007/s11030-025-11436-8
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        StartPage: 5411
    Titles:
      – TitleFull: Discovery of a potential CERS2 inhibitor: hit compound identification via structure-based virtual screening and molecular dynamics simulations.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Yu B
      – PersonEntity:
          Name:
            NameFull: Mo S
      – PersonEntity:
          Name:
            NameFull: Chen Y
      – PersonEntity:
          Name:
            NameFull: Hua Y
      – PersonEntity:
          Name:
            NameFull: Che T
      – PersonEntity:
          Name:
            NameFull: Zhang J
      – PersonEntity:
          Name:
            NameFull: Futerman AH
      – PersonEntity:
          Name:
            NameFull: Duan J
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 01
              M: 08
              Text: 2026 Aug
              Type: published
              Y: 2026
          Identifiers:
            – Type: issn-electronic
              Value: 1573-501X
          Numbering:
            – Type: volume
              Value: 30
            – Type: issue
              Value: 4
          Titles:
            – TitleFull: Molecular diversity
              Type: main
ResultId 1