Staff Directory

Zalikha Binti Ibrahim

Academic Qualification

  • Ph.D in Computational and Theoretical Chemistry - Doctor of Philosophy, Universiti Putra Malaysia (UPM)
  • Master of Science (Chemistry) - Masters Degree, Universiti Teknologi Malaysia (UTM)

Zalikha Binti Ibrahim (Dr.)

Assistant Professor
IIUM Kuantan Campus


Expert Profile

Zalikha Ibrahim received her BSc (Hons) in Petroleum Chemistry from Universiti Putra Malaysia in year 2008. She continued her intellectual journey at Universiti Teknologi Malaysia and was awarded MSc in Chemistry in 2011. During her MSc, she collected experiences working on a quantitative structure-activity relationship project for her dissertation. She received her doctoral in Computational and Theoretical Chemistry from Universiti Putra Malaysia in 2017. Her PhD thesis related on elucidation of inhibition mechanism of ligands/inhibitors towards a calcium-dependent protein. She was awarded with IPTA Academic Training Scheme (SLAI) from International Islamic University Malaysia and Ministry of Higher Education throughout her doctoral study.

Area of Specialisation

  • Natural Science ~ Bioinformatics ~ Structural Bioinformatics ~ Molecular Dynamics Simulation

Teaching Responsibilities

ANTI-INFECTIVES AGENTS 2019/2020 2018/2019
BODY SYSTEM & THERAPEUTICS II : RESPIRATORY & URINARY SYSTEM 2023/2024 2022/2023 2021/2022 2020/2021
BODY SYSTEM II : RESPIRATORY & URINARY SYSTEM 2020/2021 2019/2020 2018/2019
COMPUTER-AIDED DRUG DESIGN AND DISCOVERY 2023/2024 2022/2023 2021/2022 2020/2021
Drug Abuse 2017/2018
FUNDAMENTALS OF MEDICINAL CHEMISTRY 2023/2024 2022/2023 2021/2022 2020/2021 2019/2020 2018/2019 2017/2018 2016/2017
ORGANIC CHEMISTRY 2018/2019 2017/2018 2016/2017
RESEARCH PROJECT 1 2021/2022 2020/2021 2019/2020
RESEARCH PROJECT 2 2021/2022 2020/2021
USRAH IN ACTION 1 2022/2023
USRAH IN ACTION 2 2023/2024 2022/2023


Evaluation Of Anti-Diabetic Activities And Toxicity Of Psychotria Malayana Jack Leaves And Characterization Of Its Bioactive Compounds.
Ph.D Completed 2022 Co-supervisor
In-Vitro Characterization Of Naja Sumatrana (Equatorial Spitting Cobra) Venom And Neurotoxins.
Ph.D In Progress Member Supervisory Committee
Metabolite Profiling Of Optimized Psychotria Malayana Jack Leaves Extract With Evaluation Of Its Anti-Diabetic Activities Using Metabolomics Approach And Molecular Docking Studies.
Ph.D In Progress Co-supervisor
Synthesis, Characterization, Biological Study And Molecular Docking Of Dithiocarbazate Derivatives And Their Metal Complexes.
Ph.D In Progress Co-supervisor
Pharmacophore-Based Virtual Screening Approach For Identifying Potential Protein Arginine Deiminase-Iv (Pad4) Inhibitors From A Natural Product Database .
Master Completed 2023 Main Supervisor

Research Projects

2019 - 2022 Identification of alpha-glucosidase inhibitors from Psychotria malayana Jack leaf using multi-platform metabolomics approach and protein-ligand interaction with molecular docking in treating diabetes mellitus
2018 - 2021 Identification of ?-Glucosidase Inhibitors from Psychotria malayana Leaf Extract using Liquid Chromatography-Mass Spectrometry-Based Metabolomics and Protein-Ligand Interaction with Molecular Docking
2018 - 2022 Characterization of neuromuscular and cardiovascular effects of non-conventional three finger toxins from Malaysian spitting cobra (Naja sumatrana) venom
2018 - 2021 Chemical analyses of various heteroatom ligands
2016 - 2020 Isolation, Identification and Computational Studies of a-Glucosidase Inhibitors from Clinacanthus nutans (Burm F.) Lindau Leaves Extracts
2022 - Present Synthesis and Computer-Aided Analysis of Novel Chromone-Based KR-1401-KW Derivatives as COX-2/PGE2 Suppressor Against Cancer-prone Chronic Inflammatory Diseases
2019 - Present Identification of new inhibitor of Protein Arginine Deiminase 4 (PAD4) by consensus docking and biological assay to treat Rheumatoid Arthritis
2019 - Present A Pharmacophore-based Virtual Screening Approach for Identifying Bioactive Compounds from Various Malaysian Plants As Potential Protein Arginine Deiminase IV (PAD4) Inhibitors.



2024 Identification of cancer inhibitors from Hystrix brachyura bezoar extracts using LC-MS multivariate data analysis and in silico evaluation on Bcl-2, cyclin B/CDK1, VEGF and NM23-H1. Boletin Latinoamericano y del Caribe de Plantas Medicinales y Aromaticas, 23 (1) pp. 41-60
2023 Impact of GSK199 and GSK106 binding on protein arginine deiminase IV stability and flexibility: a computational approach. Computational Biology and Chemistry, 107 () pp. 1-12
2023 In vitro anti-diabetic, anti-inflammatory, antioxidant activities and toxicological study of optimized psychotria malayana jack leaves extract. Pharmaceuticals, 16 (12) pp. 1-23
2023 Potential anticancer agents identification of Hystrix Brachyura Bezoar through gas chromatography-mass spectrometry-based metabolomics and protein-ligand interaction with molecular docking analyses. Journal of King Saud University - Science, 35 (6) pp. 1-11
2022 Identification of novel 5-lipoxygenase-activating protein (FLAP) inhibitors by an integrated method of pharmacophore virtual screening, docking, QSAR and ADMET analyses. Journal of Computational Biophysics and Chemistry, () pp. 1-21
2022 In Vitro neurotoxicity and myotoxicity of Malaysian Naja sumatrana and Naja kaouthia venoms: Neutralization by monovalent and Neuro Polyvalent Antivenoms from Thailand. PLoS One, () pp. 1-17
2022 Study on the binding interaction of three-finger toxins from cobras and mangrove catsnake toward nicotinic acetylcholine receptors: a computational approach. Journal of Pharmacy, 2 (2) pp. 122-140
2021 GC-MS- and NMR-based metabolomics and molecular docking reveal the potential alpha-glucosidase inhibitors from psychotria malayana jack Leaves. Pharmaceuticals, 14 (10) pp. 1-29
2021 Metabolomics-based profiling with chemometric approach to identify bioactive compounds in Salacca zalacca fruits extracts and in silico molecular docking. Arabian Journal of Chemistry, 14 (4) pp. 1-12
2021 Rapid analysis of alpha-glucosidase inhibitory activity of Psychotria Malayana jack leaf applying infrared fingerprinting. International Journal of Allied Health Sciences (IJAHS), 5 (1 Special Issue) pp. 2144-2144
2020 Alpha-glucosidase inhibitory effect of psychotria malayana jack leaf: A rapid analysis using infrared fingerprinting. Molecules, 25 (18) pp. 1-11
2020 Characterization of α-glucosidase inhibitors from psychotria malayana jack leaves extract using LC-MS-based multivariate data analysis and in-silico molecular docking. Molecules, 25 (24) pp.
2020 Gas chromatography-mass spectrometry based metabolomics to Identify the alpha glucosidase inhibitors from flesh of salacca zalacca fruits and their molecular docking studies. Journal of Pharmacy & Bioallied Sciences, 12 (Supplement 2) pp. 886-887
2019 Antidiabetic and antioxidants activities of Clinacanthus nutans (Burm F.) Lindau leaves extracts. International Food Research Journal, 26 (1) pp. 319-327
2019 Cytotoxic xanthones isolated from calophyllum depressinervosum and calophyllum buxifolium with antioxidant and cytotoxic activities. Food and Chemical Toxicology, 133 () pp.
2019 Identification of α-glucosidase inhibitors from Clinacanthus nutans leaf extract using liquid chromatography-mass spectrometry-based metabolomics and protein-ligand interaction with molecular docking. Journal of Pharmaceutical Analysis, 9 (2) pp. 91-99
2019 Rapid investigation of α-glucosidase inhibitory activity of Clinacanthus nutans leaf using infrared fingerprinting. Vibrational Spectroscopy, 100 () pp. 22-29
2019 Toxicity study on Clinacanthus nutans leaf hexane fraction using Danio rerio embryos. Toxicology Reports, 6 () pp. 1148-1154
2018 Characterization of α-glucosidase inhibitors from clinacanthus nutans lindau Llaves by gas chromatography-mass spectrometry-based metabolomics and molecular docking simulation. Molecules, 23 (9) pp. 1-21
2018 Structure-based design of peptide inhibitors for Protein Arginine Deiminase Type IV (PAD4). Reference Module in Life Sciences, 2018 () pp. 1-12
2017 Synthesis and in-vitro bioactivity evaluation of new galactose and fructose ester derivatives of 5-aminosalicylic acid. Chemistry & Biodiversity, 14 (4) pp. e1600362-1
2016 In-silico identification of potential protein arginine deiminase IV (PAD4) inhibitors = Pengenalpastian in-silico yang berpotensi sebagai perencat protin arginina deiminase IV (PAD4)). Malaysian Journal of Analytical Sciences, 20 (6) pp. 1269-1277
Conference or Workshop Item

2022 Impact of reversible inhibitor binding to protein Arginine Deiminase Type 4 (PAD4): Molecular Dynamics Simulation and Mmpbsa Calculation. In: International Conference on Pharmaceutical Sciences ICOPS@IIUM2022,
2021 LC-MS-based metabolomics and molecular docking to characterize α-glucosidase inhibitors from Psychotria Malayana Jack leaves extract. In: at the Asian Symposium on Medicinal Plants and Spices XVII (2021) – Virtual Conference,
2021 Neurotoxic effect of Malaysian cobra venoms and neutralization by Thai's antivenoms.. In: 11th Congress of Toxicology in Developing Countries,
2020 Rapid investigation of Αlpha-Glucosidase inhibitory activity of Psychotria Malayana Jack leaf using infrared fingerprinting. In: International Research Conference on Pharmaceutical and Allied Science 2020,