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Dr M. Huang

Dr. Meilan Huang

Dr. Meilan Huang
BSc  (Inner Mongolia University), 1995
MSc (Inner Mongolia University), 1998
PhD (Zhejiang University), 2003

Lecturer in Molecular Modelling

Tel:     + 44 (0) 28 9097 4698
Fax:    + 44 (0) 28 9097 6524
E-mail: m.huang@qub.ac.uk

Research Keywords

Theoretical calculation
Structural-based drug design
Bioinformatics
Cheminformatics

 

The research in our group is focused on structural based drug lead discovery and optimization, computational prediction of protein structure and function, protein-ligand binding prediction, cheminformatics and theoretical calculation of chemical reactions in biological system. With broad collaboration with biologists, biochemists and medicinal chemists from academia and industry, the aim of our research is to identify anti-virus anti-bacterial, and anti-Cancer drug candidates.

 

Research

 

Developing algorithm in design novel peptides inhibitors

We have been developing new method to design inhibitors based on the target protein sequence and its structure feature in order to design inhibitors for class I and class II virus fusion proteins represented by influenza virus and Dengue virus. One undergoing case study in my group is Dengue 2 virus, the most prevalent of the four dengue serotypes.

 

Protein-ligand interaction

Image 1
Discovery of specific USP17 inhibitors based on the structural difference of USP homologues

 

Protein-protein interaction

Image 2
Protein-protein salt bridge interaction network identified in c-flip and FADD complex model

 

Protein structure-function relationship

Image 3
Inherited mutation of R499C comprised the coordination of His502 to the heme reaction centre in myeloperoxidase

 

Radical reactions mechanism

Image 3
Intramolecular H-atom transfer for radical cation of methionine in Alzheimer’s disease by theoretical calculations

 

Chemical enzymology in biological system

Image 3
Active site base mechanism for galactokinase investigated using combined QM/MM