2022

Yan, L.L..; Yao, L.Y.; Maggie Ng.; Tang, W. K. ; Leung, M.-Y.; Yam, Vivian W. W.* Stimuli-Induced Reversible Transformation between Decanuclear and Pentanuclear Gold(I) Sulfido Complexes Journal of the American Chemical Society 2022, 144, 19748-19757 (DOI: 10.1021/jacs.2c05946)

Wong, C.-Y.; Tang, M.-C.; Li L.-K.; Leung, M.-Y.; Tang, W. K. ; Lai, S.-L.; Cheung W.-L.; Maggie Ng; Chan, M.-Y.*; Yam, Vivian W. W.* Carbazolylgold(III) Complexes with Thermally Activated Delayed Fluorescence Switched on by Ligand Manipulation as High Efficiency Organic Light-Emitting Devices with Small Efficiency Roll-Offs† Chemical Science 2022, 13, 10129-10140 (DOI: 10.1039/d2sc03037c)

Lam, C. H.; Tang, W. K. ; Yam, Vivian W. W.* Synthesis, Electrochemistry, Photophysics, and Photochemistry of a Discrete Tetranuclear Copper(I) Sulfido Cluster Inorganic Chemistry 2022 (DOI: 10.1021/acs.inorgchem.2c01707)

Zin, Nfhm.; Ooi, S. Y. S.; Khor, B. K.; Chear, N. J. Y.; Tang, W. K. ; Siu, C. K.*; Razali, M. R.; Haque, R. A.; Yam, W.* Cytotoxicity of Asymmetric Mononuclear Silver(I)-N-heterocyclic Carbene Complexes Against Human Cervical Cancer: Synthesis, Crystal Structure, DFT Calculations and Effect of Substituents Journal of Organometallic Chemistry 2022, 976, 122439 (DOI: 10.1016/j.jorganchem.2022.122439)

Demissie E. G.; Tang, W. K. ; Siu, C. K.* Structure–Property Relationship of Oxygen-Doped Two-Dimensional Gallium Selenide for Hydrogen Evolution Reaction Revealed Density Functional Theory ACS Applied Energy Material 2022, 5, 6070-6079 (DOI: 10.1021/acsaem.2c00472)

Fung, Tony H. C. ; Wong, C. L.; Tang, W. K. ; Leung, M. Y.; Low, Kam-Hung; Yam, Vivian W. W.* Photochromic Dithienylethene-containing Four-coordinate Boron(III) Compounds with a Spirocyclic Scaffold.† Chemical Communications 2022, 58, 4231-4234 (DOI: 10.1039/D2CC00107A)

Wong, Eric K. H.; Chan, Michael H. Y.; Tang, W. K.; Leung, M. Y.; Yam, Vivian W. W.* Molecular Alignment of Alkynylplatinum(II) 2,6-Bis(benzimidazol-2-yl)pyridine Double Complex Salts and the Formation of Well-Ordered Nanostructures Directed by Pt···Pt and Donor−Acceptor Interactions. Journal of the American Chemical Society 2022, 144, 12, 5424–5434 (DOI: 10.1021/jacs.1c12994)

Mudchimo, T., Takahashi, K., Mano, P., Lee, V. S., Rungrotmongkol, T., & Namuangruk, S. (2022). Understanding the effect of transition metals and vacancy boron nitride catalysts on activity and selectivity for CO₂ reduction reaction to valuable products: A DFT-D3 study. Fuel, 319, 123808.

Yeo, C. I., Tan, Y. S., Kwong, H. C., Lee, V. S., & Tiekink, E. R. (2022). I⋯ N halogen bonding in 1: 1 co-crystals formed between 1, 4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n= 2, 3 and 4): assessment of supramolecular association and influence upon solid-state photoluminescence properties. CrystEngComm, 24(43), 7579-7591.

Narimani, L., Lee, V. S., Alias, Y., Manan, N. S., & Woi, P. M. (2022). Rational Design of a Fluorescent Chromophore as a Calcium Receptor via DFT and Multivariate Approaches. Molecules, 27(19), 6248.

Chee, C. W., Zamakshshari, N. H., Lee, V. S., Abdullah, I., Othman, R., Lee, Y. K., ... & Nor Rashid, N. (2022). Morindone from Morinda citrifolia as a potential antiproliferative agent against colorectal cancer cell lines. PloS one, 17(7), e0270970.

Gautam, V., Gaurav, A., Masand, N., Lee, V. S., & Patil, V. M. (2022). Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system. Molecular Diversity, 1-27.

Chong, W.L., Vao-soongnern, V., Nimmanpipug, P., Tayapiwatana, C., Lin, J.H., Lin, Y.L., Chee, H.Y., Zain, S.M., Abd Rahman, N. and Lee, V.S., 2022. Molecular dynamics simulations and Gaussian network model for designing antibody mimicking protein towards dengue envelope protein. Journal of Molecular Liquids, 346, p.118086.

Darai, N., Mahalapbutr, P., Wolschann, P., Lee, V. S., Wolfinger, M. T., & Rungrotmongkol, T. (2022). Theoretical studies on RNA recognition by Musashi 1 RNA-binding protein. Scientific Reports, 12(1), 1-12.

Sanachai, K., Somboon, T., Wilasluck, P., Deetanya, P., Wolschann, P., Langer, T., ... & Hannongbua, S. (2022). Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening. PloS one, 17(6), e0269563.

Yasamut, U., Wisitponchai, T., Lee, V. S., Yamabhai, M., Rangnoi, K., Thongkum, W., ... & Tayapiwatana, C. (2022). Determination of a distinguished interferon gamma epitope recognized by monoclonal antibody relating to autoantibody associated immunodeficiency. Scientific reports, 12(1), 1-12.

Wathikthinnakon, M., Luangwattananun, P., Sawasdee, N., Chiawpanit, C., Lee, V. S., Nimmanpipug, P., ... & Panya, A. (2022). Combination gemcitabine and PD-L1xCD3 bispecific T cell engager (BiTE) enhances T lymphocyte cytotoxicity against cholangiocarcinoma cells. Scientific reports, 12(1), 1-15.

Al-Nema, M., Gaurav, A., Lee, M. T., Okechukwu, P., Nimmanpipug, P., & Lee, V. S. (2022). Evaluation of the acute oral toxicity and antipsychotic activity of a dual inhibitor of PDE1B and PDE10A in rat model of schizophrenia. Plos one, 17(12), e0278216.

Al-Nema, M., Gaurav, A., Lee, V.S., Gunasekaran, B., Lee, M.T., Okechukwu, P. and Nimmanpipug, P., 2022. Structure-based discovery and bio-evaluation of a cyclopenta [4, 5] thieno [2, 3-d] pyrimidin-4-one as a phosphodiesterase 10A inhibitor. RSC Advances, 12(3), pp.1576-1591.

2021

Rashid, S.N., Hayyan, A., Hayyan, M., Hashim, M.A., Elgharbawy, A.A., Sani, F.S., Basirun, W.J., Lee, V.S., Alias, Y., Mohammed, A.K. and Mirghani, M.E., 2021. Ternary glycerol-based deep eutectic solvents: Physicochemical properties and enzymatic activity. Chemical Engineering Research and Design, 169, pp.77-85.

Chandrasekaram, K., Alias, Y., Fathullah, S.F., Lee, V.S., Haron, N., Raoov, M., Zakaria, N. and Mohamad, S., 2021. Sporopollenin supported ionic liquids biosorbent for enhanced selective adsorption of 2, 4-dinitrophenol from aqueous environment. Materials Today Communications, 28, p.102587.

Phasit, C., Wararat, C., Lee, V.S., Chanin, N., Mehedi, H.M. and Watshara, S., 2021. Improved prediction and characterization of anticancer activities of peptides using a novel flexible scoring card method. Scientific Reports (Nature Publisher Group), 11(1).

Sanachai, K., Mahalapbutr, P., Sanghiran Lee, V., Rungrotmongkol, T. and Hannongbua, S., 2021. In Silico Elucidation of Potent Inhibitors and Rational Drug Design against SARS-CoV-2 Papain-like Protease. The Journal of Physical Chemistry B.

Charoenkwan, P., Chotpatiwetchkul, W., Lee, V.S., Nantasenamat, C. and Shoombuatong, W., 2021. A novel sequence-based predictor for identifying and characterizing thermophilic proteins using estimated propensity scores of dipeptides. Scientific reports, 11(1), pp.1-15.

Chong, W.L., Chupradit, K., Chin, S.P., Khoo, M.M., Khor, S.M., Tayapiwatana, C., Nimmanpipug, P., Thongkum, W. and Lee, V.S., 2021. Protein-Protein Interactions: Insight from Molecular Dynamics Simulations and Nanoparticle Tracking Analysis. Molecules, 26(18), p.5696.

Charoenkwan, P., Chiangjong, W., Lee, V.S., Nantasenamat, C., Hasan, M.M. and Shoombuatong, W., 2021. Improved prediction and characterization of anticancer activities of peptides using a novel flexible scoring card method. Scientific reports, 11(1), pp.1-13.

Waris, K.H., Lee, V.S. and Mohamad, S., 2021. Pesticide remediation with cyclodextrins: a review. Environmental Science and Pollution Research, 28(35), pp.47785-47799.

Al-Nema, M., Gaurav, A., Lee, V.S., Gunasekaran, B., Lee, M.T. and Okechukwu, P., 2021. Identification of dual inhibitor of phosphodiesterase 1B/10A using structure-based drug design approach. Journal of Molecular Liquids, 342, p.117485.

Gautam, V., Nimmanpipug, P., Zain, S.M., Rahman, N.A. and Lee, V.S., 2021. Molecular Dynamics Simulations in Designing DARPins as Phosphorylation-Specific Protein Binders of ERK2. Molecules, 26(15), p.4540.

Lee, V.S., Sukumaran, S.D., Tan, P.K., Kuppusamy, U.R. and Arumugam, B., 2021. Role of surface-exposed charged basic amino acids (Lys, Arg) and guanidination in insulin on the interaction and stability of insulin–insulin receptor complex. Computational Biology and Chemistry, 92, p.107501.

Chanajaree, R., Sriuttha, M., Lee, V.S., and Wittayanarakul, K., 2021. Thermodynamics and kinetics of cationic/anionic dyes adsorption on cross-linked chitosan. Journal of Molecular Liquids, 322, p.114507.

Yana, J., Chiangraeng, N., Nimmanpipug, P. and Lee, V.S., 2021. A Theoretical Study of Supramolecular Aggregation of Polydopamine Tetramer Subunits in Aqueous Solution. Journal of Molecular Graphics and Modelling, p.107946.

Chiangraeng, N., Armstrong, M., Manokruang, K., Lee, V.S., Jiranusornkul, S. and Nimmanpipug, P., 2021. Characteristic Structural Knowledge for Morphological Identification and Classification in Meso-Scale Simulations Using Principal Component Analysis. Polymers, 13(16), p.2581.

Panya, A., Songprakhon, P., Panwong, S., Jantakee, K., Kaewkod, T., Tragoolpua, Y., Sawasdee, N., Lee, V.S., Nimmanpipug, P. and Yenchitsomanus, P.T., 2021. Cordycepin Inhibits Virus Replication in Dengue Virus-Infected Vero Cells. Molecules, 26(11), p.3118.

Somboon, T., Mahalapbutr, P., Sanachai, K., Maitarad, P., Lee, V.S., Hannongbua, S. and Rungrotmongkol, T., 2021. Computational study on peptidomimetic inhibitors against SARS-CoV-2 main protease. Journal of Molecular Liquids, p.114999.

Yap, P.C., Ayuhan, N., Woon, J.J., Teh, C.S.J., Lee, V.S., Azman, A.S., AbuBakar, S. and Lee, H.Y., 2021. Profiling of Potential Antibacterial Compounds of Lactic Acid Bacteria against Extremely Drug Resistant (XDR) Acinetobacter baumannii. Molecules, 26(6), p.1727.

Sukumaran, S.D., Nasir, S.B., Tee, J.T., Buckle, M.J., Othman, R., Rahman, N.A., Lee, V.S., Bukhari, S.N.A. and Chee, C.F., 2021. Analogues of 2′-hydroxychalcone with modified C4-substituents as the inhibitors against human acetylcholinesterase. Journal of Enzyme Inhibition and Medicinal Chemistry, 36(1), pp.130-137.

Demissie, E. G.; Lam, W. K.; Tang, W. K.*; Siu, C. K.* Decomposition of Nitrous Oxide in Hydrated Cobalt (I) Clusters: a Theoretical Insight into the Mechanistic Roles of Ligand-Binding Modes. Physical Chemistry Chemical Physics 2021, 23, 16816-16826. (DOI: 10.1039/D1CP01820E)

Rahim, M. A.; Yeap, G.-Y.*; Tang, W. K.; Siu, C.K. Experimental and DFT Studies on Well-Defined Odd-Even Effect in Organic Liquid Crystal Tetramers Incorporating Two Chiral Centers. Current Material Science 2021, 15, 90-101 (DOI: 10.2174/2666145414666210531123103)

Heller, J.^†; Tang, W. K.^†; Cunningham, E. M.; Demissie, E. G.; van der Linde, C.; Lam, W. K.; Ončák, M.; Siu, C. K.*; Beyer, M. K.* Getting Ready for the Hydrogen Evolution Reaction: The Infrared Spectrum of Hydrated Aluminum Hydride-Hydroxide HAlOH⁺(H₂O)_n_-1, n = 9–14. Angewandte Chemie International Edition 2021 60, 1 – 6
^†denote equal contribution (DOI: 10.1002/anie.202105166)

Xu, Z.; Tang, W. K.; Zhou, Q.; Chen, S.; Siu, C. K.; Zhu, G. On the Hydrolytic Stability of Unsymmetric Platinum(IV) Anticancer Prodrugs Containing Axial Halogens. Inorg. Chem. Front. 2021 00, 1 – 9 (DOI: 10.1039/D1QI00208B)

2020

Tang, W. K.; Mu, X. Y.; Li, M. Z.; Martens, Berden. G.; Oomens, J.*; Chu, I. K.*; Siu, C.-K.* Formation of n→π⁺ Interaction Facilitating Dissociative Electron Transfer in Isolated Tyrosine-containing Molecular Peptide Radical Cations. Physical Chemistry Chemical Physics 2020, 22, 21393 – 21402 (DOI: 10.1039/D0CP00533A)

Lai, C. K.; Tang, W. K.; Siu, C. K.*; Chu, I. K.* Evidence for the Prerequisite Formation of Phenoxyl Radicals in Radical-mediated Peptide Tyrosine Nitration in Vacuo. Chemistry-a European Journal 2020, 26, 331 – 335 (DOI: 10.1002/chem.201904484)

Woon, K.L., Mustapa, S.A.S., Jamel, N.S.M., Lee, V.S., Zakaria, M.Z. and Ariffin, A., 2020. Effect of Bulky Functional Groups on Donor and Acceptor Interactions and their Photoluminescence Properties. Chemphyschem: a European journal of chemical physics and physical chemistry, 21(22), pp.2620-2626.

Keyen, U., Nimmanpipug, P. and Lee, V.S., 2020. Crystal structures and pressure-induced phase transformations of LiAlH4: A first-principles study. AIP Advances, 10(2), p.025030.

Woon, K.L., Wong, W.S., Chanlek, N., Nakajima, H., Tunmee, S., Lee, V.S., Ariffin, A. and Songsiriritthigul, P., 2020. Work function modification of PEDOT: PSS by mixing with barium acetylacetonate. RSC Advances, 10(30), pp.17673-17680.

Petdum, A., Sirirak, J., Lee, V.S., Nienaber, H.A., Panchan, W., Sooksimuang, T. and Wanichacheva, N., 2020. New [5] helicene derivatives with large Stokes shifts for Hg2+ determination and their application in drinking water, river water and tuna fillet. Science, Engineering and Health Studies (Former name: Silpakorn University Science and Technology Journal), pp.32-46.

Huynh, K.Q., Gautam, V., Cho, B.H., Jang, Y.S., Lee, V.S. and Tran-Van, H., 2020. Molecular Dynamics Simulations Reveal Novel 12-Mer Peptide Derived From CPE30 of Clostridium Perfringens Targeting M Cell. International Journal of Pharmaceutical Research & Allied Sciences, 9(4).

Al-Nema, M., Gaurav, A. and Lee, V.S., 2020. Docking based screening and molecular dynamics simulations to identify potential selective PDE4B inhibitor. Heliyon, 6(9), p.e04856.

Liew, S.Y., Sivasothy, Y., Shaikh, N.N., Isa, D.M., Lee, V.S., Choudhary, M.I. and Awang, K., 2020. β-Glucuronidase inhibitors from Malaysian plants. Journal of Molecular Structure, 1221, p.128743.

Mahendra, C.K., Tan, L.T.H., Pusparajah, P., Htar, T.T., Chuah, L.H., Lee, V.S., Low, L.E., Tang, S.Y., Chan, K.G. and Goh, B.H., 2020. Detrimental Effects of UVB on Retinal Pigment Epithelial Cells and Its Role in Age-Related Macular Degeneration. Oxidative medicine and cellular longevity, 2020.

Nimmanpipug, P., Lee, V.S., Kruanopparatana, P. and Yu, L.D., 2020. Geant4-DNA simulation of radiation effects in DNA on strand breaks from ultra-low-energy particles. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 475, pp.77-83.

Mahalapbutr, P., Lee, V.S. and Rungrotmongkol, T., 2020. Binding hotspot and activation mechanism of maltitol and lactitol toward the human sweet taste receptor. Journal of Agricultural and Food Chemistry, 68(30), pp.7974-7983.

Nutho, B., Pengthaisong, S., Tankrathok, A., Lee, V.S., Ketudat Cairns, J.R., Rungrotmongkol, T. and Hannongbua, S., 2020. Structural Basis of Specific Glucoimidazole and Mannoimidazole Binding by Os3BGlu7. Biomolecules, 10(6), p.907.

Lee, V.S., Chong, W.L., Sukumaran, S.D., Nimmanpipug, P., Letchumanan, V., Goh, B.H., Lee, L.H., Zain, S.M. and Abd Rahman, N., 2020. Computational screening and identifying binding interaction of anti-viral and anti-malarial drugs: Toward the potential cure for SARS-CoV-2. Progress in Drug Discovery & Biomedical Science, 3(1).

Suwanhom, P., Nualnoi, T., Khongkow, P., Lee, V.S. and Lomlim, L., 2020. Synthesis and evaluation of chromone-2-carboxamido-alkylamines as potent acetylcholinesterase inhibitors. Medicinal Chemistry Research, 29(3), pp.564-574.

Lythell, E., Suardiaz, R., Hinchliffe, P., Hanpaibool, C., Visitsatthawong, S., Oliveira, S., Lang, E., Surawatanawong, P., Lee, V.S., Rungrotmongkol, T. and Fey, N., 2020. Resistance to the “Last Resort” Antibiotic Colistin: A Single-Zinc Mechanism for Phosphointermediate Formation in MCR Enzymes. Chemical Communications.

Abdullah, A.A., Lee, Y.K., Chin, S.P., Lim, S.K., Lee, V.S., Othman, R., Othman, S., Rahman, N.A., Yusof, R. and Heh, C.H., 2020. Discovery of Dengue Virus Inhibitors. Current medicinal chemistry, 27, pp. 4945-5036.

2019

Woon, K.L., Wong, W.S., Chanlek, N., Nakajima, H., Tunmee, S., Songsiriritthigul, C., Lee, V.S. and Songsiriritthigul, P., 2019. Conformational distortion in solution processable PVK: TcTa blends and the effect on extra warm white organic phosphorescent light emitting diodes. Organic Electronics, 74, pp.1-6.

Chiangraeng, N., Lee, V.S. and Nimmanpipug, P., 2019. Phase separation dynamics and morphologies prediction of PEO-b-PMMA copolymer by atomistic and mesoscopic simulations. Journal of Metals, Materials and Minerals, 28(2).

Chiangraeng, N., Lee, V.S. and Nimmanpipug, P., 2019. Coarse-Grained Modelling and Temperature Effect on the Morphology of PS-b-PI Copolymer. Polymers, 11(6), p.1008.

Ranji, R., Thanavanich, C., Sukumaran, S. D., Kittiwachana, S., Zain, S. M., Liew, C. S., & Lee, V. S. (2019). An automated workflow by using KNIME Analytical Platform: a case study for modelling and predicting HIV-1 protease inhibitors. Progress in Drug Discovery & Biomedical Science, 2(1).

Tee, H.K., Tan, C.W., Yogarajah, T., Lee, M.H.P., Chai, H.J., Hanapi, N.A., Yusof, S.R., Ong, K.C., Lee, V.S., Sam, I.C. and Chan, Y.F., 2019. Electrostatic interactions at the five-fold axis alter heparin-binding phenotype and drive EV-A71 virulence in mice. BioRxiv, p.648253.

Abdullah, A. A., Lee, Y. K., Chin, S. P., Lim, S. K., Lee, V. S., Othman, R., ... & Heh, C. H. (2019). Discovery of Dengue Virus Inhibitors. Current medicinal chemistry.

Karim, H.A.A., Rungrotmongkol, T., Zain, S.M., Rahman, N.A., Tayapiwattana, C. and Lee, V.S., 2019. Designed antiviral ankyrin–A computational approach to combat HIV-1 via intracellular pathway by targeting the viral capsid of HIV-1. Journal of Molecular Liquids, 277, pp.63-69.

Isa, D.M., Chin, S.P., Chong, W.L., Zain, S.M., Rahman, N.A. and Lee, V.S., 2019. Dynamics and binding interactions of peptide inhibitors of dengue virus entry. Journal of biological physics, pp.1-14.

Gautam, V., Chong, W.L., Chin, S.P., Zain, S.M., Rahman, N.A., Vao-soongnern, V. and Lee, V.S., 2019. Loop dynamics behind the affinity of DARPins towards ERK2: Molecular dynamics simulations (MDs) and elastic network model (ENM). Journal of Molecular Liquids, 274, pp.612-620.

Kara, J., Suwanhom, P., Wattanapiromsakul, C., Nualnoi, T., Puripattanavong, J., Khongkow, P., Lee, V.S., Gaurav, A. and Lomlim, L., 2019. Synthesis of 2‐(2‐oxo‐2H‐chromen‐4‐yl) acetamides as potent acetylcholinesterase inhibitors and molecular insights into binding interactions. Archiv der Pharmazie, p.e1800310.

Andreas, H.; Milan, O.; Siu, C. K.*; Demissie, E. G.; Jakob, H.; Tang, W. K.; Beyer, M. K.* Infrared Spectroscopy of Size-selected Hydrated Carbon Dioxide Radical Anions CO₂^•-(H₂O)_n (n = 2–61) in the C-O Stretch Region. Chemistry-a European Journal 2019, 25, 10165 – 10171 (DOI: 10.1002/chem.201901650)

Tang, W. K.; Chau, M. C.; Siu, C. K.* Role of Water in Molecular Oxygen Activation in Hydrated Chromium(I) Cluster Ions: A Theoretical Insight. International Journal of Mass Spectrometry (A Special Issue on the Occasion of Prof. Helmut Schwarz's 75th Birthday) 2019, 436, 118 – 126 (DOI: 10.1016/j.ijms.2018.12.002)

2022

2021

Waris, K.H., Lee, V.S. and Mohamad, S., 2021. Pesticide remediation with cyclodextrins: a review. Environmental Science and Pollution Research, 28(35), pp.47785-47799.

2020

Keyen, U., Nimmanpipug, P. and Lee, V.S., 2020. Crystal structures and pressure-induced phase transformations of LiAlH4: A first-principles study. AIP Advances, 10(2), p.025030.

Al-Nema, M., Gaurav, A. and Lee, V.S., 2020. Docking based screening and molecular dynamics simulations to identify potential selective PDE4B inhibitor. Heliyon, 6(9), p.e04856.

2019

Chiangraeng, N., Lee, V.S. and Nimmanpipug, P., 2019. Coarse-Grained Modelling and Temperature Effect on the Morphology of PS-b-PI Copolymer. Polymers, 11(6), p.1008.

Abdullah, A. A., Lee, Y. K., Chin, S. P., Lim, S. K., Lee, V. S., Othman, R., ... & Heh, C. H. (2019). Discovery of Dengue Virus Inhibitors. Current medicinal chemistry.

Publications

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2019