Research Fund Secretariat - Detail of Approved Project (Reference No.: 01121986)

Detail of Approved Project (Reference No.: 01121986)

Fund	:	HMRF - Advanced Medical Research
Project Status	:	Closed
Reference No.	:	01121986
Project Title	:	Computational Platform for Modelling, Analysis and Prediction of Anti-EGFR Drug Resistance for Lung Cancer
Research Activity Code	:	Development of treatments and therapeutic interventions
Health Category	:	Cancer
Applicant(s)	:	Yan H(1) Zhu GY(2) Wong M(3) Lee V(4)
Affiliation(s)	:	Department of Electronic Engineereing, CityU(1) Dept of Biology and Chemistry, CityU(2) Dept of Pathology, HKU(3) Dept of Clinical Oncology, HKU(4)
Approved Amount (HK$)	:	$995,000.00
Abstract	:	Objectives: This project aims to investigate robust computational methods and establish a web-based platform for medical professionals and researchers to study anti-EGFR drug resistance at the atomic level. We will carry out computational modelling of EGFR mutations, predict the structures of protein mutants and analyse how the mutations affect the drug binding affinity. Design and subjects: EGFR mutation information compiled locally and obtained from published databases will be used to develop and test our computational algorithms. We have a strong interdisciplinary team to work on clinical data collection and interpretation, computational modelling and analysis, as well as drug target identification and validation. Data analysis: Molecular modelling and numerical optimisation software will be used to evaluate the binding affinity between an EGFR mutant and a drug molecule. Molecular flexibility will be considered in studying the interactions between the EGFR mutant and the drug. The reasons for drug resistance will be determined by analysing the changes in the protein-drug interface structure, surface complementarity and hydrogen bonding patterns and how the changes affect the drug binding affinity. Expected results: This project will lead to a better understanding of EGFR mutations and drug resistance, a computer based method to choose more effective drugs and the design of new drugs. The techniques can also be used for the investigation of drug resistance for many other diseases. It will be an effective step towards the goal of producing personalised medicine. The web-based platform will be made available free-of-charge to other Hong Kong researchers and medical professionals.
Keywords	:	Lung cancer;EGFR;Protein mutations;Protein-drug complex;Drug resistance;Protein binding site;Binding affinity
Instruments	:
Remarks	:

Dissemination Report	:		01121986_DR.pdf
Final Report	:		01121986_FR.pdf

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