3rd International Workshop on Theoretical and
Computational Physics (IWTCP-3):
Complex Systems and Interdisciplinary Physics
Đà Lạt, 27-30 July 2015
in association with: 40th National Conference on Theoretical Physics

Program

P.2 -- Poster, IWTCP-3

Date: Wednesday, 29 July 2015

Time: 08h30 - 10h00

Modeling the interactions between putative anticancer bacteriocins and the p53 DNA-binding domain

Kim-Thoa Pham (1), Quy-Truong Nguyen (1), Quy-Ngan Nguyen (1), Van-Duy Nguyen (2), Chuong Nguyen (3,4)

(1) Faculty of Physics and Engineering Physics, University of Science, Vietnam National University, Ho Chi Minh City, Vietnam; (2) Institute of Biotechnology and Environment, Nha Trang University, Nha Trang, Khanh Hoa, Vietnam; (3) Theoretical Physics Research group, Department for Management of Science and Technology Development, Ton Duc Thang University, Ho Chi Minh City, Vietnam; (4) Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Vietnam.

Azurin, a well characterized bacteriocin, has been well known for its capability of penetrating into human cancer cells, forming a complex with protein p53, thereby activating apoptosis and growth arrest in such cells. Recently, a bioinformatics study has proposed other bacteriocins from human gut microflora that also possessed functional properties very similar to those of Azurin. We hypothesized that these putative anticancer bacteriocins can also form complexes with protein p53. In this study, we have predicted the molecular interaction between p53 and these bacteriocins using homology modeling and molecular docking approaches. The resulting structures have been further investigated by steer molecular dynamics to reveal the bacteriocins that have highest binding affinity towards p53. Our result contributes to assess and screen out the most potential bacteriocins to target human cancer cell. This can lead us to identify the novel anticancer drugs from human microflora.

Presenter: Pham Thoa


_________________
Institute of Physics, VAST   |   Center for Theoretical Physics   |   Center for Computational Physics

© 2012-2015 Center for Theoretical Physics & Center for Computational Physics
Institute of Physics, VAST, 10 Dao Tan, Hanoi, Vietnam