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Identification of potential lead compound from Thuja occidentalis as an inhibitor of FMS-like tyrosine kinase 3 (FLT3) in acute myeloid leukemia through virtual screening

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Title Identification of potential lead compound from Thuja occidentalis as an inhibitor of FMS-like tyrosine kinase 3 (FLT3) in acute myeloid leukemia through virtual screening
 
Creator S, Swetha
Manivannan, Hema Priya
Francis, Arul Prakash
Veeraraghavan, Vishnu Priya
R, Gayathri
Sankaran, Kavitha
 
Subject Acute myeloid leukemia
Docking
Drug-likeness
Oral bioavailability
Phytochemicals
Thuja occidentalis
 
Description 472-484
The present study focus on the investigation of phytochemicals derived from Thuja occidentalis as potential inhibitors of FMS-like tyrosine kinase 3 (FLT3) in the context of acute myeloid leukemia (AML). The side effects associated with existing chemotherapy drugs have indeed spurred significant interest in the search for natural compounds from plants as alternative treatment options for cancer. Through in silico drug-likeness screening and pharmacokinetics analysis using the SwissADME web server, 25 phytochemicals were selected for further evaluation from the initial pool of 28 compounds. Among these, catechin, beta-eudesmol, and beta-thujaplicin exhibited remarkable binding affinities to FLT3, outperforming the control drug gilteritinib. Additionally, these compounds demonstrated favorable pharmacokinetic profiles and are predicted to have low toxicity, making them promising lead candidates for further studies. Radar plots representing oral bioavailability highlighted that the compounds fall within the optimal range, indicating their ability to be effectively absorbed. Our findings suggest that phytochemicals from Thuja occidentalis hold considerable promise as FLT3 inhibitors. But further experimental validation is required to explore their therapeutic potential
 
Date 2024-07-29T09:39:07Z
2024-07-29T09:39:07Z
2024-07
 
Type Article
 
Identifier 0975-0959 (Online); 0301-1208 (Print)
http://nopr.niscpr.res.in/handle/123456789/64287
https://doi.org/10.56042/ijbb.v61i8.4569
 
Language en
 
Publisher NIScPR-CSIR,India
 
Source IJBB Vol.61(08) [August 2024]