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PHARMASPIRE - Volume 14,Issue 1 ,2022 , January-March 2022

Pages: 1-9

In silico study for the identification of potential compounds as PIM-1 kinase inhibitors

Shahid Ayaz, Vivek Asati

Category: Pharmacognosy

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PIM kinases are a group of serine/threonine kinases that are classified into three isoforms: PIM1, PIM2, and PIM3. Pim-1 kinase is a critical enzyme that is involved in cell growth, cell survival, differentiation, apoptosis, senescence and drug resistance. The PUBMED database has been taken for the screening of PIM-1 kinase inhibitor. This database, further, screened by Lipinski Rule of five, HTVS, standard precision (SP), and extra precision (XP) methodologies. 2OJF protein of PIM-1 kinase was taken for molecular docking. The compound 1a showed good docking scores, SP = -7.244 and XP = -8.6, whereas 1i showed minimal SP and XP scores. These studies may be used for the further development of potential compounds against PIM-1 kinase.

Keywords: In silico, Lipinski Rule, PIM-1 kinase, PUBMED database


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DOI: 10.56933/Pharmaspire.2022.14101