Phui Mun Chee’s research while affiliated with International Medical University and other places

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Publications (1)


Targeting Heat Shock Proteins 60 and 70 of Toxoplasma gondii as a Potential Drug Target: In Silico Approach
  • Article

August 2015

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104 Reads

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14 Citations

Interdisciplinary Sciences Computational Life Sciences

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Phui Mun Chee

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Heat shock proteins (Hsps) 60 and 70 are postulated as a potential drug target for toxoplasmosis due to its importance in the developmental and survival of Toxoplasma gondii (T. gondii). As of today, there have been no reports on three-dimensional (3D) structure of Hsp60 and Hsp70 deposited in the Brookhaven Protein Data Bank. Hence, this study was conducted to predict 3D structures for Hsp60 and Hsp70 in T. gondii by homology modeling. Selection of the best predicted model was done based on multiple scoring functions. In addition, virtual screening was performed to short-list chemical compounds from the National Cancer Institute (NCI) Diversity Set III in search of potential inhibitor against Hsp60 and Hsp70 in T. gondii. Prior to virtual screening, binding sites of Hsp60 and Hsp70 were predicted using various servers and were used as the center in docking studies. The Hsps were docked against known natural ligands to validate the method used in estimating free energy of binding (FEB) and possible interactions between ligand and protein. Virtual screening was performed with a total of 1560 compounds from the NCI Diversity Set III. The compounds were ranked subsequently according to their FEB. Molecular basis of interactions of the top five ranked compounds was investigated using Ligplot(+). The major interactions exhibited were hydrogen bonding and hydrophobic interactions in binding to Hsp60 and Hsp70. The results obtained provided information and guidelines for the development of inhibitors for Hsp60 and Hsp70 in T. gondii.

Citations (1)


... Toxoplasmosis is a significant health problem in humans and animals and especially it poses a potential risk for pregnant women and immuno-compromised patients in human [1,2]. Moreover, Toxoplasmosis can lead to severe diseases in high-risk group individuals (e.g., still birth, hydrocephalus, cerebral calcification retinochoroiditis and pneumonia) [3,4]. ...

Reference:

Isolation and Characterization of Heat Shock Protein 70-Ipek 1 from Toxoplasma gondii
Targeting Heat Shock Proteins 60 and 70 of Toxoplasma gondii as a Potential Drug Target: In Silico Approach
  • Citing Article
  • August 2015

Interdisciplinary Sciences Computational Life Sciences