Thanyada Rungrotmongkol

27 papers Journal 27
YearRankTypeTitle / Venue / Authors
2025 J jnl
Exploring mimosamycin as a Janus kinase 2 inhibitor: A combined computational and experimental investigation.
Comput. Biol. Chem.
Kamonpan Sanachai, Kowit Hengphasatporn, Supakarn Chamni, Khanit Suwanborirux, Panupong Mahalapbutr, Yasuteru Shigeta, Supaporn Seetaha, Kiattawee Choowongkomon, Thanyada Rungrotmongkol
2025 J jnl
M3S-GRPred: a novel ensemble learning approach for the interpretable prediction of glucocorticoid receptor antagonists using a multi-step stacking strategy.
BMC Bioinform.
Nalini Schaduangrat, Hathaichanok Chuntakaruk, Thanyada Rungrotmongkol, Pakpoom Mookdarsanit, Watshara Shoombuatong
2025 J jnl
Pre-training strategy for antiviral drug screening with low-data graph neural network: A case study in HIV-1 K103N reverse transcriptase.
J. Comput. Chem.
Kajjana Boonpalit, Hathaichanok Chuntakaruk, Jiramet Kinchagawat, Peter Wolschann, Supot Hannongbua, Thanyada Rungrotmongkol, Sarana Nutanong
2025 J jnl
Rational Design for Antioxidant Diphenylamine Derivatives Using Quantitative Structure-Activity Relationships and Quantum Mechanics Calculations.
J. Comput. Chem.
Ayokanmi Joseph Aremu, Phiphob Naweephattana, Ismail Dwi Putra, Borwornlak Toopradab, Phornphimon Maitarad, Thanyada Rungrotmongkol
2025 J jnl
Theoretical investigation of structure and electronic properties in Cisplatin-citrate complexes.
J. Comput. Chem.
Lipika Oopkaew, Yuwanda Injongkol, Nawee Kungwan, Thanyada Rungrotmongkol
2024 J jnl
Evaluating solubility, stability, and inclusion complexation of oxyresveratrol with various β-cyclodextrin derivatives using advanced computational techniques and experimental validation.
Comput. Biol. Chem.
Saba Ali, Aamir Aman, Kowit Hengphasatporn, Lipika Oopkaew, Bunyaporn Todee, Ryo Fujiki, Ryuhei Harada, Yasuteru Shigeta, Kuakarun Krusong, Kiattawee Choowongkomon, Warinthorn Chavasiri, Peter Wolschann, Panupong Mahalapbutr, Thanyada Rungrotmongkol
2024 J jnl
GraphEGFR: Multi-task and transfer learning based on molecular graph attention mechanism and fingerprints improving inhibitor bioactivity prediction for EGFR family proteins on data scarcity.
J. Comput. Chem.
Bundit Boonyarit, Nattawin Yamprasert, Pawit Kaewnuratchadasorn, Jiramet Kinchagawat, Chanatkran Prommin, Thanyada Rungrotmongkol, Sarana Nutanong
2024 J jnl
Machine learning-guided design of potent darunavir analogs targeting HIV-1 proteases: A computational approach for antiretroviral drug discovery.
J. Comput. Chem.
Hathaichanok Chuntakaruk, Kajjana Boonpalit, Jiramet Kinchagawat, Fahsai Nakarin, Tanatorn Khotavivattana, Chanat Aonbangkhen, Yasuteru Shigeta, Kowit Hengphasatporn, Sarana Nutanong, Thanyada Rungrotmongkol, Supot Hannongbua
2023 J jnl
Enhancement by pyrazolones of colistin efficacy against mcr-1-expressing E. coli: an in silico and in vitro investigation.
J. Comput. Aided Mol. Des.
Chonnikan Hanpaibool, Puey Ounjai, Sirilata Yotphan, Adrian J. Mulholland, James Spencer, Natharin Ngamwongsatit, Thanyada Rungrotmongkol
2023 J jnl
Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CL
J. Chem. Inf. Model.
Piyatida Pojtanadithee, Kowit Hengphasatporn, Aphinya Suroengrit, Siwaporn Boonyasuppayakorn, Patcharin Wilasluck, Peerapon Deetanya, Kittikhun Wangkanont, I. Putu Sukanadi, Warinthorn Chavasiri, Peter Wolschann, Thierry Langer, Yasuteru Shigeta, Phornphimon Maitarad, Kamonpan Sanachai, Thanyada Rungrotmongkol
2023 J jnl
Structure-based virtual screening for potent inhibitors of GH-20
Comput. Biol. Chem.
Grittin Phengsakun, Bundit Boonyarit, Thanyada Rungrotmongkol, Wipa Suginta
2022 J jnl
Halogenated Baicalein as a Promising Antiviral Agent toward SARS-CoV-2 Main Protease.
J. Chem. Inf. Model.
Kowit Hengphasatporn, Patcharin Wilasluck, Peerapon Deetanya, Kittikhun Wangkanont, Warinthorn Chavasiri, Peerapat Visitchanakun, Asada Leelahavanichkul, Wattamon Paunrat, Siwaporn Boonyasuppayakorn, Thanyada Rungrotmongkol, Supot Hannongbua, Yasuteru Shigeta
2022 J jnl
Insights into binding molecular mechanism of hemagglutinin H3N2 of influenza virus complexed with arbidol and its derivative: A molecular dynamics simulation perspective.
Comput. Biol. Chem.
Thitiya Boonma, Nattharuja Soikudrua, Bodee Nutho, Thanyada Rungrotmongkol, Nadtanet Nunthaboot
2022 J jnl
Structural dynamics and kinase inhibitory activity of three generations of tyrosine kinase inhibitors against wild-type, L858R/T790M, and L858R/T790M/C797S forms of EGFR.
Comput. Biol. Medicine
Duangjai Todsaporn, Panupong Mahalapbutr, Rungtiva P. Poo-arporn, Kiattawee Choowongkomon, Thanyada Rungrotmongkol
2021 J jnl
In silico and in vitro anti-AChE activity investigations of constituents from Mytragyna speciosa for Alzheimer's disease treatment.
J. Comput. Aided Mol. Des.
Wansiri Innok, Asadhawut Hiranrat, Netnapa Chana, Thanyada Rungrotmongkol, Panita Kongsune
2020 J jnl
Source of oseltamivir resistance due to single E119D and double E119D/H274Y mutations in pdm09H1N1 influenza neuraminidase.
J. Comput. Aided Mol. Des.
Chonnikan Hanpaibool, Matina Leelawiwat, Kaito Takahashi, Thanyada Rungrotmongkol
2019 J jnl
Understanding of the drug resistance mechanism of hepatitis C virus NS3/4A to paritaprevir due to D168N/Y mutations: A molecular dynamics simulation perspective.
Comput. Biol. Chem.
Thitiya Boonma, Bodee Nutho, Thanyada Rungrotmongkol, Nadtanet Nunthaboot
2018 J jnl
Theoretical and Experimental Studies on Inclusion Complexes of Pinostrobin and β-Cyclodextrins.
Sensors
Jintawee Kicuntod, Kanyani Sangpheak, Monika Müller, Peter Wolschann, Helmut Viernstein, Saeko Yanaka, Koichi Kato, Warinthorn Chavasiri, Piamsook Pongsawasdi, Nawee Kungwan, Thanyada Rungrotmongkol
2017 J jnl
Comparison of Implicit and Explicit Solvation Models for
J. Chem. Inf. Model.
Wasinee Khuntawee, Manaschai Kunaseth, Chompoonut Rungnim, Suradej Intagorn, Peter Wolschann, Nawee Kungwan, Thanyada Rungrotmongkol, Supot Hannongbua
2016 J jnl
Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA study.
J. Comput. Aided Mol. Des.
Jiraphorn Phanich, Thanyada Rungrotmongkol, Nawee Kungwan, Supot Hannongbua
2015 J jnl
Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer.
J. Chem. Inf. Model.
Wasinee Khuntawee, Peter Wolschann, Thanyada Rungrotmongkol, Jirasak Wong-ekkabut, Supot Hannongbua
2014 J jnl
Key Binding and Susceptibility of NS3/4A Serine Protease Inhibitors against Hepatitis C Virus.
J. Chem. Inf. Model.
Arthitaya Meeprasert, Supot Hannongbua, Thanyada Rungrotmongkol
2013 J jnl
Effect of Halogen Substitutions on dUMP to Stability of Thymidylate Synthase/dUMP/mTHF Ternary Complex Using Molecular Dynamics Simulation.
J. Chem. Inf. Model.
Nopporn Kaiyawet, Thanyada Rungrotmongkol, Supot Hannongbua
2012 J jnl
Molecular Dynamic Behavior and Binding Affinity of Flavonoid Analogues to the Cyclin Dependent Kinase 6/cyclin D Complex.
J. Chem. Inf. Model.
Wasinee Khuntawee, Thanyada Rungrotmongkol, Supot Hannongbua
2010 J jnl
Evolution of Human Receptor Binding Affinity of H1N1 Hemagglutinins from 1918 to 2009 Pandemic Influenza A Virus.
J. Chem. Inf. Model.
Nadtanet Nunthaboot, Thanyada Rungrotmongkol, Maturos Malaisree, Nopporn Kaiyawet, Panita Decha, Pornthep Sompornpisut, Yong Poovorawan, Supot Hannongbua
2009 J jnl
Dynamic Behavior of Avian Influenza A Virus Neuraminidase Subtype H5N1 in Complex with Oseltamivir, Zanamivir, Peramivir, and Their Phosphonate Analogues.
J. Chem. Inf. Model.
Thanyarat Udommaneethanakit, Thanyada Rungrotmongkol, Urban Bren, Vladimir Frecer, Stanislav Miertus
2009 J jnl
Why Amantadine Loses Its Function in Influenza M2 Mutants: MD Simulations.
J. Chem. Inf. Model.
Chittima Laohpongspaisan, Thanyada Rungrotmongkol, Pathumwadee Intharathep, Maturos Malaisree, Panita Decha, Ornjira Aruksakunwong, Pornthep Sompornpisut, Supot Hannongbua