Staff Directory

Khairul Bariyyah Binti Abd Halim

Academic Qualification

  • Biochemistry - Doctor of Philosophy, University of Oxford
  • Science (Bioinformatics) - Masters Degree, University of East Anglia
  • BSc (Bioinformatics) - Bachelor Degree, UNIVERSITY OF MALAYA

Khairul Bariyyah Binti Abd Halim (Dr.)

Assistant Professor
IIUM Kuantan Campus


Expert Profile

Following her graduation in Bioinformatics at the University of Malaya in 2005, she worked at the same university for one year as a tutor in the Department of Bioinformatics and Computational Biology. Then, she moved to University of East Anglia to do a MSc degree in Bioinformatics in September 2006. During her three-month MSc dessertation, she worked at the Genome Centre, John Innes Centre, Norwich. In 2008, she returned to Malaysia and worked a the Centre of Research in Computational Sciences and Informatics for Biology, Bioindustry, Environment, Agriculture and Healthcare (CRYSTAL), University of Malaya, Kuala Lumpur for one year as a research assistant. Then, she was awarded the Yayasan Khazanah - Oxford Centre for Islamic Studies Merdeka Scholarship to read for a D.Phil in Biochemistry under supervision of Prof Mark Sansom, the leader of the Structural Biology and Computational Biochemistry (SBCB) group in the Department of Biochemistry, University of Oxford. She completed her study with a D.Phil in Biochemistry awarded on 13 August 2014. She joined IIUM in November 2014, and now she is a lecture at the Department of Biotechnology, Kulliyyah of Science, IIUM Kuantan Campus.

Area of Specialisation

  • Natural Science ~ Bioinformatics ~ Bioinformatics Tools, Platforms and Technologies ~ Biomodeling and Simulation - MOLECULAR DYNAMIC SIMULATION, PROTEIN MODELING

Teaching Responsibilities

BIOENTREPRENEURSHIP 2023/2024 2022/2023 2021/2022 2020/2021 2019/2020
BIOINFOMATICS 2020/2021 2018/2019 2016/2017 2015/2016 2014/2015
BIOINFORMATICS 2020/2021 2019/2020
COMPUTER AIDED DRUG DESIGN 2024/2025 2023/2024 2022/2023 2021/2022 2020/2021 2014/2015
COMPUTER IN SCIENCE 2022/2023 2021/2022 2020/2021 2019/2020 2018/2019 2017/2018 2016/2017 2015/2016 2014/2015
INTERNSHIP 2023/2024 2022/2023 2021/2022 2020/2021
PROJECT SEMINAR 2019/2020 2018/2019 2016/2017 2015/2016
RESEARCH METHODOLOGY 2024/2025 2023/2024 2022/2023 2021/2022 2019/2020


Synthesis, In Silico Studies, And Biological Evaluation Of Carvone Derivatives As Potential Neuraminidase Inhibitors.
Ph.D Completed 2020 Co-supervisor
In Silico And In Vitro Evaluation Of Newly Synthesized Thiourea Derivatives As Potential Chemopreventive Agents Against Mcf-7 Cancer Cell Line.
Master Completed 2024 Co-supervisor
Design, Virtual Screening And Synthesis Towards New Sulfonylurea Derivatives As Potential Antidiabetic Drugs.
Master Completed 2022 Co-supervisor
Fundamental Study Of The Structure Glycerol-3-Phosphate Acyltranscrerase (Gpat) Protein From Chlorella Sp.On Understanding Of Lipid Synthesis.
Master Completed 2020 Main Supervisor
Molecular Docking And Molecular Dynamics Study On Potential Ebola Matrix Protein Vp40 Inhibitors.
Master Completed 2019 Main Supervisor
The Mechanistic Role Of Active Site Residues In Non-Stereospecific Haloacid Dehalogenase E (Dehe) Using Computational Approach .
Master Completed 2019 Co-supervisor
Molecular Binding Affinity Between Mutated Furin Cleavage Site (Fcs) Of Sars-Cov -2 Spike And Host Furin Protease: A Multi-Scale Simulation Study.
Master In Progress Co-supervisor

Research Projects

2020 - 2023 In silico Evaluation of Newly Designed Thiourea Derivatives as Potential Chemopreventive Agents Against Cancer Through EGFR-TK Inhibition
2018 - 2022 Quest on Finding Potential Ebola VP40 Inhibitors: Molecular Dockings and Molecular Dynamics Simulation Studies
2017 - 2020 Computational investigation on the interaction of ?-Glucosidase with the cell wall component of pathogenic fungus, Macrophomina phaseolina
2016 - 2020 Investigation Of Insulin-like Protein Of Some Malaysia Medicinal Plants For Diabetes Mellitus Treatment
2015 - 2019 Fundamental Study of the Structure of the Glycerol-3-Phosphate Acyltransferase (GPAT) Protein from Chlorella Sp. on Understanding the Mechanism of Lipid Synthesis
2015 - 2019 The Mechanistic Role of Active Site Residues in Non-Stereospecific Haloacid Dehalogenase E (Dehe) Using Computational Approach



2023 In silico study of Thiourea derivatives as potential epidermal growth factor receptor inhibitors. Journal of Computational Biophysics and Chemistry, 22 (4) pp. 453-472
2022 Computational studies of potential ebola vp40 inhibitors using bioactive compounds from medicinal plants of Malaysia. Jurnal Teknologi (Sciences and Engineering), 84 (4) pp. 183-190
2022 P-glycoprotein: new insights into structure, physiological function, regulation and alterations in disease. Heliyon, 8 (6) pp. 1-12
2022 Recent development on the synthesis of thiourea derivatives and effect of substituents on the anticancer activity: a short review. Malaysian Journal of Analytical Sciences, 26 (5) pp. 1047-1069
2021 Molecular docking analysis of designed ligands on VP40 of Ebola Virus. Malaysian Journal of Chemistry, 23 (2) pp. 63-73
2021 Molecular Docking of Polyphenol Compounds from Anacardium occidentalewith Alpha-Glucosidase and Dipeptidyl-Peptidase-4 Enzymes. Malaysian Journal of Fundamental and Applied Sciences, 17 (2) pp. 202-216
2020 Computational quest for finding potential Ebola VP40 inhibitors: a molecular docking study = [pencarian pengiraan untuk mencari potensi perencat Ebola VP40: suatu kajian mengedok molekul]. Sains Malaysiana, 49 (3) pp. 537-544
2020 In silico mutation on a mutant lipase from Acinetobacter haemolyticus towards enhancing alkaline stability. Journal of Biomolecular Structure and Dynamics, 38 (15) pp. 4493-4507
2020 Molecular docking and molecular dynamics simulations studies on β-glucosidase and xylanase Trichoderma asperellum to predict degradation order of cellulosic components in oil palm leaves for nanocellulose preparation. Journal of Molecular Structure and Dynamics, () pp. 1-14
2020 Science@IIUM Issue 3. SCIENCE@IIUM, (3) pp. 1-40
2019 Science@IIUM Issue 2. SCIENCE@IIUM, (2) pp. 1-40
2019 The mechanistic role of active site residues in non-stereo haloacid dehalogenase E(DehE). Journal of Molecular Graphics and Modelling, 90 () pp. 219-225
2018 CHNS analysis towards food waste in composting. Journal Clean WAS, 2 (1) pp. 6-10
2018 Homology modeling and docking studies of δ19-fatty acid desaturase from a Cold-tolerant Pseudomonas sp. AMS8. PeerJ, 2018 (3) pp. 1-21
2018 In silico study of carvone derivatives as potential neuraminidase inhibitors. Journal of Molecular Modeling, 24 (4) pp. 1-13
2018 Interaction of monomeric Ebola VP40 protein with a plasma membrane: a coarse-grained molecular dynamics (CGMD) simulation study. Journal of Molecular Graphics and Modeling, 82 () pp. 137-144
2018 Quantitative protein expression of Malaysian Phaleriamacrocarpa. International Journal of Advances in Science Engineering and Technology , I, 6 (2) pp. 18-22
2018 The discovery of physical properties of food waste in composting process.. International Journal of Engineering & Technology, 7 (2.29) pp. 460-468
2017 In silico binding interactions of dehalogenase (Dehe) with various haloalkanoic acids. Galeri Warisan Sains, 1 (1) pp. 4-6
2017 Molecular dynamic simulation of space and earth-grown crystal structures of thermostable T1 lipase geobacillus zalihae revealed a better structure. Molecules, 22 (10) pp. 1-13
2015 Interactions of the EGFR juxtamembrane domain with PIP2-containing lipid bilayers: insights from multiscale molecular dynamics simulations. Biochimica et Biophysica Acta, 1850 (5) pp. 1017-1025
2014 Sidekick for membrane simulations: automated ensemble molecular dynamics simulations of transmembrane helices. Journal of Chemical Theory and Computation, () pp. 2165-2175
Conference or Workshop Item

2019 The mechanistic role of active site residues in non-stereo Haloacid Dehalogenase E (DehE). In: 2nd International Conference on Biosciences & Medical Engineering 2019,
2018 A quest on finding new potential ebola vp40 inhibitors: molecular docking and molecular dynamics simulation studies. In: Computer-aided Drug Design 2018,
2018 Quantitative protein expression of Malaysian Phaleria macrocarpa. In: 151st IIER International Conference,
2017 Isolation and identification of chlorella-like species for potential application in biofuel production. In: 9th Asian Federation of Biotechnology(AFOB) Regional Symposium 2017,
2016 Comparative analysis of the biomass and lipid yield of blue-green algae, freshwater and marine microalgae as potential candidate for biofuel feedstock. In: 2nd International Conference on Oceanography and Sustainable Marine Production (ICOSMaP 2016),
2016 Quantification of total phenolic contents and their antioxidant scavenging capacity in selected herbs extract. In: Medical Research Symposium & Pacific Partnership in conjunction with Kuantan Research Day 2016,
2016 The effect of particle size, methods and time of extraction on the natural antioxidant content and radical scavenging activity of Phyllanthus niruri. In: Medical Research Symposium & Pacific Partnership in conjunction with Kuantan Research Day 2016,
2015 In silico study of the ErbB4 interactions with curcumin analogs. In: 6th Regional Conference on Molecular Medicine (RCMM) in Conjunction with 2nd National Conference for Cancer Research 2015,

2019 Fundamental study of glycerol-3-phosphate acyltransferase for understanding the mechanism of lipid synthesis (FRGS15-207-0448). In: ,