Research Projects

 Nuclear Hormone Receptor Family
2014-Current

This research project on nuclear receptors continue from my postdoctoral training (2014-2016). The work focuses on the state-of-the art technology of molecular dynamics (MD) simulations and docking methods to assist screening of large scale chemical compounds for potential drugs. The receptors for this project are proteins from a family of nuclear hormone receptors, which currently targets for more than 30% FDA approved drugs. 

Outcome: (1) journal articles (two published and one in preparation), (2) ongoing usage of UCSD supercomputing facilities and (3) long-term collaboration on other projects, (4) 3 undergraduate final year thesis project with poster/oral presentations.

Publications
Hio K.T., Jusoh S.A. and Shirley W.I. Siu, 2018. Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening. Journal of Cheminformatics.

Akbar, R., Jusoh, S.A., Amaro, R.E. and Helms, V., 2017. ENRI: A tool for selecting structure‐based virtual screening target conformations. Chemical Biology & Drug Design. (Q2; IF 2.396)

Swift, R.V., Jusoh, S.A., Offutt, T.L., Li, E.S. and Amaro, R.E., 2016. Knowledge-Based Methods to Train and Optimize Virtual Screening Ensembles. Journal of Chemical Information and Modeling, 56(5), pp.830-842. (Q1; IF 3.760)

251st American Chemistry Society (ACS) National Meeting - Computers in Chemistry, San Diego - USA. March 13-17, 2016. Title: Molecular dynamics-generated ensemble structures improve virtual screening performance.  Jusoh, S.A., Swift, R.V., and Amaro, R.E. (Oral Presentation).

251st American Chemistry Society (ACS) National Meeting - Computers in Chemistry, San Diego - USA. March 13-17, 2016. ENRI: Enriching Virtual Screening Through Machine Learning. Akbar, R., Jusoh, S.A., Amaro, R.E. and Helms, V. (Poster)

3rd Annual Postdoctoral Research Symposium, Aug 14- 2015. Enhance Performance of Virtual Screening using MD Ensembles. Jusoh, S.A., Swift, R.V., and Amaro, R.E. (Poster)

Graduated Students
M Alwee Fikri Abdullah Hassan & Siti Azma Jusoh, 2018. 2nd International Symposium of Bioinformatics (InSyB 2018), Perdana University, Serdang. (Poster)

Farah Najihah Isa'Ali & Siti Azma Jusoh, 2018. 2nd International Symposium of Bioinformatics (InSyB 2018), Perdana University, Serdang. (The Best Oral Presenter).

Siti Zaidah Rosman and Siti Azma Jusoh. Molecular Interactions of Dioxin Derivatives with Human Estrogen Receptors. 28th Intervarsity Biochemistry Seminar, 13th May 2017, UCSI University, Kuala Lumpur. (Oral Presenter/BPharm Thesis Project)

Nurdalilah Anis Hasim and Siti Azma Jusoh. Chemical Compounds From Sunscreen Products Potential Endocrine Disruptors, 28th Intervarsity Biochemistry Seminar, 13th May 2017, UCSI University, Kuala Lumpur. (Oral Presenter/BPharm Thesis Project)

Nurul Hafizah Ahmad Kamal and Siti Azma Jusoh. Molecular Docking Studies of Bisphenol A (BPA) Interactions with Estrogen Receptors. 28th Intervarsity Biochemistry Seminar, 13th May 2017, UCSI University, Kuala Lumpur. (Poster/BPharm Thesis Project)

Funding
Universiti Teknologi MARA and KPM Funding for Postdoctoral Scholarship (2014-2016) in Rommie Amaro Lab, UCSD

Structural Studies on OTCase SNP Mutations
2014-2018

The study about human mutation of OTC enzyme, which can cause OTCD disease. The disease can be fatal for newborn babies and neurological effects to other patients. The aim is to predict effects of a single mutation on the structure of the OTC enzyme using molecular docking and MD simulations.

Outcome/Grant Involved

Ali EZ., et al. 2018. Mutation Study of Malaysian Patients with Ornithine Transcarbamylase Deficiency: Clinical, Molecular, and Bioinformatics Analyses of Two Novel Missense Mutations of the OTC Gene. BioMed Research International. 

PhD Thesis (expected 2018). Erni Zuraida Ali. Universiti Teknologi MARA. Thesis Project: Effect of Missense Mutations to the Structure and Functions of OTCase Studied using MD Simulations and Molecular Docking.

Asian Congress on Biotechnology, Kuala Lumpur, Malaysia. Nov 15-19, 2015. Predicting Effect of Missense Mutations at Active Site in Ornithine Transcarbamylase (OTC) Gene: In-Silico Webservers and Molecular Docking Analysis. Ali, E. Z., Zakaria, Y., Mohd Radzi, M. A. and Jusoh, S. A. (Extended Abstract & Poster Presentation)

Graduated Student
Dr Erni Zuraida Ali (PhD), 2019
Title: Predicting Effect of Missense Mutations at Active Site in Ornithine Transcarbamylase (OTC) Gene using MD simulations.

Grant
BESTARI Grant UiTM 2016-2018/40K (Principal Investigator). Project: Single Nucleotide Polymorphism (SNP) Effects On The Otcase Structure & Functions.

Structural Dynamics Studies on Membrane Proteins
2009-2018

Publications
Beck A, Speicher T, Stoerger C, Sell T, Dettmer V, Jusoh S. A., Abdulmughni A, Cavalié A, Philipp SE, Zhu MX, Helms V, 2013. Conserved gating elements in TRPC4 and TRPC5 channels. Journal of Biological Chemistry, 288(27):19471-83.

Chik, W.D.W., Mohamed, R., Majeed, A.B.A. and Jusoh, S.A., 2012. Sequence analysis and homology modeling of TRPV5 and TRPV6 channels. In Business, Engineering and Industrial Applications (ISBEIA), 2012 IEEE Symposium, pp. 342-346.

Graduated Student
Dr Wan Dalila Wan Chik (PhD), 2018
Title: MD Simulations of TRPC channel.

Grant Involved
FRGS 2011-2013/117K (Principal Investigator). Project: Modeling And Dynamics Of The Transient Receptor Potential (TRP) Channels. 

Funding

ERGS 2012-2015/142K (Principal Investigator). Project: Molecular Modelling And Docking Studies Of P-glycoprotein

Structural Studies on Envelope Glycoprotein of Flaviviridae Viruses
2011-2018

Hepatitis C Virus
This project is a continuing study from the PhD project. The main aim is to build a complete model of E1-E2 heterodimer, as currently the high resolution structure is not yet available. 

Dengue Virus
As dengue fever still has no specific treatment in Malaysia, we embarked on the dengue virus envelope glycoprotein study. The study aimed to build the model structure of the envelope proteins, to characterize the protein dynamics behavior in lipid bilayer, and to perform virtual screening of potential binding compounds.

Graduated Student
Dr Nurul Azira Ismail (PhD), 2018
Title: MD Simulations and Docking Studies of E and M Proteins of Dengue Virus

Publications

Ismail NA, Jusoh SA, 2016. Molecular Docking and Molecular Dynamics Simulation Studies to Predict Flavonoid Binding on the Surface of DENV2 E Protein. Interdisciplinary Sciences: Computational Life Sciences. 11:1-3. (Q3; IF 0.753)

Akbar R, Jusoh SA. 2013. Stability, orientation and position preference of the stem region (residues 689-703) in Hepatitis C Virus (HCV) envelope glycoprotein E2: a molecular dynamics study. F1000Research, pp 2. (Q1)

Funding
Cluster Computing Grant UiTM  2012-2014/60K (Principal Investigator), Project: Membrane Protein Folding: Folding Of Envelope Glycoproteins Form Flaviviridae Viruses.