Thanyada Rungrotmongkol

Chulalongkorn University — Thailand

Computer Science · Physical Sciences

40h-index5.9kcitations329works3.22yr avg
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Research Topics

Computational Drug Discovery Methods(48), Protein Structure and Dynamics(36), Influenza Virus Research Studies(35), Drug Solubulity and Delivery Systems(25), Synthesis and biological activity(23)

Publications329 total

Effects of deamidation by protein glutaminase on the flavor binding properties of pea protein isolate
Food Chemistry X·2026Open Access
Chlorinated bis-4-hydroxycoumarins suppress flavivirus replication by inhibiting dengue virus type 2 translation and replication
Scientific Reports·2026Open Access
Designing Potent HIV-1 Protease Inhibitors Using Machine Learning and QSAR Approaches
ACS Omega·2025· 2 citedOpen Access
Identification of Sulfonamide-Vinyl Sulfone/Chalcone and Berberine-Cinnamic Acid Hybrids as Potent DENV and ZIKV NS2B/NS3 Allosteric Inhibitors
International Journal of Molecular Sciences·2025· 1 citedOpen Access
Identification and pharmacological characterization of a natural folipastatin as a CFTR inhibitor and potential anti-secretory agent in a human colonoid model
BMC Complementary Medicine and Therapies·2025Open Access
Anti-diabetic, antioxidants, and molecular docking analysis of isolated essential oils from the East-Bornean endemic ginger, <i>Etlingera balikpapanensis</i> A.D.Poulsen
Natural Resources for Human Health·2025Open Access
Methylated 1,2-naphthoquinone derivative SJ006 as an inhibitor of human glucose 6-phosphate dehydrogenase in non-small cell lung cancer cell lines
Scientific Reports·2025Open Access
Synthesis, Biological Evaluation, and Docking Study of Rhinacanthin-Related Derivatives as α-Glucosidase Inhibitors
ACS Omega·2025Open Access
Catalytic Residue Reprogramming Enhances Enzyme Activity at Alkaline pH via Phenolate-Mediated Proton Transfer
ACS Synthetic Biology·2025· 2 citedOpen Access
Atomistic-Level Structural Insight into Vespa Venom (Ves a 1) and Lipid Membrane Through the View of Molecular Dynamics Simulation
Toxins·2025Open Access
Targeting SARS-CoV-2 main protease: a pharmacophore and molecular modeling approach
Journal of Molecular Modeling·2025· 1 cited
Chiral pyrimidinyl-piperazine carboxamide derivatives as potent yeast α-glucosidase inhibitors
Scientific Reports·2025Open Access
Discovery of <i>bis</i> -thiourea derivatives as potent tyrosinase inhibitors: combined experimental and computational study
Journal of Enzyme Inhibition and Medicinal Chemistry·2025· 4 citedOpen Access
Publisher Correction: Unveiling the antiviral inhibitory activity of ebselen and ebsulfur derivatives on SARS-CoV-2 using machine learning-based QSAR, LB-PaCS-MD, and experimental assay
Scientific Reports·2025Open Access
The First Report on α‐Glucosidase, Tyrosinase, and Free Radical Inhibitory Activities of <i>Pandanus helicopus</i> Kurz Fruits and Their Phytochemicals
Chemistry & Biodiversity·2025Open Access
Mechanistic Insights into Enhanced Reactivation of Organophosphate-Inhibited Enzymes by Methyl-Substituted 2-Pralidoxime Analogs
The Journal of Physical Chemistry B·2025Open Access
High-binding affinity nanobody against SARS-CoV-2 XBB.1.5: Computational-based protein engineering
Journal of Metals Materials and Minerals·2025Open Access
M3S-GRPred: a novel ensemble learning approach for the interpretable prediction of glucocorticoid receptor antagonists using a multi-step stacking strategy
BMC Bioinformatics·2025· 3 citedOpen Access
Identification of novel TMEM16A blockers through integrated virtual screening, molecular dynamics, and experimental studies
Scientific Reports·2025Open Access
Jorunnamycin A induces apoptosis in pancreatic ductal adenocarcinoma cells, spheroids, and patient-derived organoids by modulating KRAS-mediated survival pathways
Scientific Reports·2025· 3 citedOpen Access
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Frequent Co-authors

Supot Hannongbua(21), Panupong Mahalapbutr(11), Maturos Malaisree(6), Peter Wolschann(6), Nawee Kungwan(6), Pathumwadee Intharathep(5), Wasinee Khuntawee(5), Kowit Hengphasatporn(4), Yasuteru Shigeta(4), Phornphimon Maitarad(4), Warinthorn Chavasiri(4), Panita Decha(4), Ornjira Aruksakunwong(4), Pornthep Sompornpisut(4), Piamsook Pongsawasdi(4), Arthitaya Meeprasert(4), Chompoonut Rungnim(4), Dengsong Zhang(3), Liyi Shi(3), Supawadee Namuangruk‬(3)