Development of novel chromones as antioxidant COX2 inhibitors: in vitro, QSAR, DFT, molecular docking, and molecular dynamics studies.

Saved in:
Bibliographic Details
Title: Development of novel chromones as antioxidant COX2 inhibitors: in vitro, QSAR, DFT, molecular docking, and molecular dynamics studies.
Authors: Lakkadi A; Department of Chemistry, Bhavan's Vivekananda College of Science, Humanities & Commerce, Sainikpuri, Secunderabad, India., Vuppala S; Department of Nanoenergy Engineering, Pusan National University, Busan, Republic of Korea., Nampally V; Department of Chemistry, Osmania University, Hyderabad, India., Kim J; Department of Nanoenergy Engineering, Pusan National University, Busan, Republic of Korea., Kim K; Department of Nanoenergy Engineering, Pusan National University, Busan, Republic of Korea., Jang J; Department of Nanoenergy Engineering, Pusan National University, Busan, Republic of Korea., Tigulla P; Department of Chemistry, Osmania University, Hyderabad, India.
Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 Apr; Vol. 42 (6), pp. 2793-2808. Date of Electronic Publication: 2023 May 15.
Publication Type: Journal Article
Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE
Database: MEDLINE Ultimate
Full text is not displayed to guests.
FullText Links:
  – Type: pdflink
Text:
  Availability: 1
Header DbId: mdl
DbLabel: MEDLINE Ultimate
An: 37184132
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: Development of novel chromones as antioxidant COX2 inhibitors: in vitro, QSAR, DFT, molecular docking, and molecular dynamics studies.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AU" term="%22Lakkadi+A%22">Lakkadi A</searchLink>; Department of Chemistry, Bhavan's Vivekananda College of Science, Humanities & Commerce, Sainikpuri, Secunderabad, India.<br /><searchLink fieldCode="AU" term="%22Vuppala+S%22">Vuppala S</searchLink>; Department of Nanoenergy Engineering, Pusan National University, Busan, Republic of Korea.<br /><searchLink fieldCode="AU" term="%22Nampally+V%22">Nampally V</searchLink>; Department of Chemistry, Osmania University, Hyderabad, India.<br /><searchLink fieldCode="AU" term="%22Kim+J%22">Kim J</searchLink>; Department of Nanoenergy Engineering, Pusan National University, Busan, Republic of Korea.<br /><searchLink fieldCode="AU" term="%22Kim+K%22">Kim K</searchLink>; Department of Nanoenergy Engineering, Pusan National University, Busan, Republic of Korea.<br /><searchLink fieldCode="AU" term="%22Jang+J%22">Jang J</searchLink>; Department of Nanoenergy Engineering, Pusan National University, Busan, Republic of Korea.<br /><searchLink fieldCode="AU" term="%22Tigulla+P%22">Tigulla P</searchLink>; Department of Chemistry, Osmania University, Hyderabad, India.
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%228404176%22">Journal of biomolecular structure & dynamics</searchLink> [J Biomol Struct Dyn] 2024 Apr; Vol. 42 (6), pp. 2793-2808. <i>Date of Electronic Publication: </i>2023 May 15.
– 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="%22Taylor+%26+Francis%22">Taylor & Francis </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>8404176 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1538-0254 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2207391102%22">07391102 </searchLink><i>NLM ISO Abbreviation: </i>J Biomol Struct Dyn <i>Subsets: </i>MEDLINE
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=37184132
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1080/07391102.2023.2212785
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        StartPage: 2793
    Titles:
      – TitleFull: Development of novel chromones as antioxidant COX2 inhibitors: in vitro, QSAR, DFT, molecular docking, and molecular dynamics studies.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Lakkadi A
      – PersonEntity:
          Name:
            NameFull: Vuppala S
      – PersonEntity:
          Name:
            NameFull: Nampally V
      – PersonEntity:
          Name:
            NameFull: Kim J
      – PersonEntity:
          Name:
            NameFull: Kim K
      – PersonEntity:
          Name:
            NameFull: Jang J
      – PersonEntity:
          Name:
            NameFull: Tigulla P
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 01
              M: 04
              Text: 2024 Apr
              Type: published
              Y: 2024
          Identifiers:
            – Type: issn-electronic
              Value: 1538-0254
          Numbering:
            – Type: volume
              Value: 42
            – Type: issue
              Value: 6
          Titles:
            – TitleFull: Journal of biomolecular structure & dynamics
              Type: main
ResultId 1