Virtual Screening, Molecular Docking, and DFT Studies of Som…

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  • DOI 10.1002/slct.201702392
  • OpenAlex ID W2782811439
  • Type Article
  • Language EN
  • Published 04 Jan 2018
  • Volume 3 (1)
  • Pages 127–135
  • Source ChemistrySelect
  • Publisher Wiley
  • FWCI 0.93
  • Countries 1
  • Institutions 2
  • Added 26 Jan 2018
  • Updated 30 Oct 2026
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Virtual Screening, Molecular Docking, and DFT Studies of Some Thiazolidine‐2,4‐diones as Potential PIM‐1 Kinase Inhibitors

Article 2018 EN

Abstract In the present study, ZINC database has been used for virtual screening of thousand of compounds based on previously reported pharmacophore against PIM‐1 kinase. These compounds were further screened by Glide docking methodologies such as high throughput virtual screening (HTVS), standard precision (SP) and extra precision (XP), against PIM‐1 kinase (PDB ID: 4DTK). Eight top‐ranked compou…

54

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21

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4

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0.93

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4 authors
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1 Vivek Asati Corresponding Guru Ghasidas Vishwavidyalaya (IN)
2 Santosh Singh Thakur Guru Ghasidas Vishwavidyalaya (IN)
3 Neeraj Upmanyu People’s University (IN)
4 Sanjay Kumar Bharti Corresponding Guru Ghasidas Vishwavidyalaya (IN)
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