Thanyada Rungrotmongkol
YOU?
Author Swipe
View article: Anti-diabetic, antioxidants, and molecular docking analysis of isolated essential oils from the East-Bornean endemic ginger, <i>Etlingera balikpapanensis</i> A.D.Poulsen
Anti-diabetic, antioxidants, and molecular docking analysis of isolated essential oils from the East-Bornean endemic ginger, <i>Etlingera balikpapanensis</i> A.D.Poulsen Open
Etlingera balikpapanensis, a rhizomatous plant native to East Kalimantan and a member of the Zingiberaceae family, shows great promise for use in traditional medicine. This research investigated the biological activities of the esse…
View article: Methylated 1,2-naphthoquinone derivative SJ006 as an inhibitor of human glucose 6-phosphate dehydrogenase in non-small cell lung cancer cell lines
Methylated 1,2-naphthoquinone derivative SJ006 as an inhibitor of human glucose 6-phosphate dehydrogenase in non-small cell lung cancer cell lines Open
View article: Synthesis, Biological Evaluation, and Docking Study of Rhinacanthin-Related Derivatives as α-Glucosidase Inhibitors
Synthesis, Biological Evaluation, and Docking Study of Rhinacanthin-Related Derivatives as α-Glucosidase Inhibitors Open
This study describes the design, synthesis, and in vitro evaluation of 25 rhinacanthin-related derivatives as potential α-glucosidase inhibitors. The synthesized compounds were characterized using 1H and 13C NM…
View article: Catalytic Residue Reprogramming Enhances Enzyme Activity at Alkaline pH via Phenolate-Mediated Proton Transfer
Catalytic Residue Reprogramming Enhances Enzyme Activity at Alkaline pH via Phenolate-Mediated Proton Transfer Open
Achieving efficient enzyme catalysis under extreme pH conditions remains a major challenge in biocatalysis and synthetic biology. To address this, we present an enzyme engineering strategy that integrates rational redesign of catalytic res…
View article: Atomistic-Level Structural Insight into Vespa Venom (Ves a 1) and Lipid Membrane Through the View of Molecular Dynamics Simulation
Atomistic-Level Structural Insight into Vespa Venom (Ves a 1) and Lipid Membrane Through the View of Molecular Dynamics Simulation Open
This study used all-atom molecular dynamics simulations to investigate the structural dynamics of Ves a 1, a phospholipase from Vespa affinis venom, and its interactions within a lipid membrane environment, both alone and in the presence o…
View article: Chiral pyrimidinyl-piperazine carboxamide derivatives as potent yeast α-glucosidase inhibitors
Chiral pyrimidinyl-piperazine carboxamide derivatives as potent yeast α-glucosidase inhibitors Open
View article: Discovery of <i>bis</i> -thiourea derivatives as potent tyrosinase inhibitors: combined experimental and computational study
Discovery of <i>bis</i> -thiourea derivatives as potent tyrosinase inhibitors: combined experimental and computational study Open
Tyrosinase, a key enzyme in melanin synthesis, serves as a primary target for developing depigmenting agents. The search for novel tyrosinase inhibitors is needed due to the adverse effects of current inhibitors. This study evaluated 16
View article: 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
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 Open
View article: The First Report on α‐Glucosidase, Tyrosinase, and Free Radical Inhibitory Activities of <i>Pandanus helicopus</i> Kurz Fruits and Their Phytochemicals
The First Report on α‐Glucosidase, Tyrosinase, and Free Radical Inhibitory Activities of <i>Pandanus helicopus</i> Kurz Fruits and Their Phytochemicals Open
The tropical plant Pandanus helicopus Kurz, a member of the Pandanaceae family found in peatland regions of Central Kalimantan, is recognized for its pharmacological potential attributed to secondary metabolites. This current study represe…
View article: High-binding affinity nanobody against SARS-CoV-2 XBB.1.5: Computational-based protein engineering
High-binding affinity nanobody against SARS-CoV-2 XBB.1.5: Computational-based protein engineering Open
The emergence of the SARS-CoV-2 variant XBB.1.5 has triggered a global health crisis by enhancing viral entry into cells via its spike protein. This study addresses the urgent need to develop neutralizing nanobodies (Nbs) to counteract the…
View article: Mechanistic Insights into Enhanced Reactivation of Organophosphate-Inhibited Enzymes by Methyl-Substituted 2-Pralidoxime Analogs
Mechanistic Insights into Enhanced Reactivation of Organophosphate-Inhibited Enzymes by Methyl-Substituted 2-Pralidoxime Analogs Open
Organophosphate (OP) compounds, such as paraoxon (POX), inhibit enzymes critical for neurotransmission, causing severe neurotoxic effects. Pralidoxime (2-pyridine aldoxime methyl chloride) or 2-PAM is commonly employed to reverse this inhi…
View article: M3S-GRPred: a novel ensemble learning approach for the interpretable prediction of glucocorticoid receptor antagonists using a multi-step stacking strategy
M3S-GRPred: a novel ensemble learning approach for the interpretable prediction of glucocorticoid receptor antagonists using a multi-step stacking strategy Open
View article: Identification of novel TMEM16A blockers through integrated virtual screening, molecular dynamics, and experimental studies
Identification of novel TMEM16A blockers through integrated virtual screening, molecular dynamics, and experimental studies Open
View article: Jorunnamycin A induces apoptosis in pancreatic ductal adenocarcinoma cells, spheroids, and patient-derived organoids by modulating KRAS-mediated survival pathways
Jorunnamycin A induces apoptosis in pancreatic ductal adenocarcinoma cells, spheroids, and patient-derived organoids by modulating KRAS-mediated survival pathways Open
View article: Correction: Suriya et al. Integration of In Silico Strategies for Drug Repositioning towards P38α Mitogen-Activated Protein Kinase (MAPK) at the Allosteric Site. Pharmaceutics 2022, 14, 1461
Correction: Suriya et al. Integration of In Silico Strategies for Drug Repositioning towards P38α Mitogen-Activated Protein Kinase (MAPK) at the Allosteric Site. Pharmaceutics 2022, 14, 1461 Open
In the original publication [...]
View article: 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
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 Open
View article: Inclusion complex of water-soluble arbutin with β-cyclodextrin: Computer modeling and experimental studies
Inclusion complex of water-soluble arbutin with β-cyclodextrin: Computer modeling and experimental studies Open
A water-soluble arbutin was investigated for its potential to form an inclusion complex with β-cyclodextrin (β-CD). Molecular modeling tests confirmed that arbutin can be accommodated within the cavity of β-CD primarily through Van der Waa…
View article: SynProtX: a large-scale proteomics-based deep learning model for predicting synergistic anticancer drug combinations
SynProtX: a large-scale proteomics-based deep learning model for predicting synergistic anticancer drug combinations Open
Motivation Drug combination therapy plays a pivotal role in addressing the molecular heterogeneity of cancer, improving treatment efficacy, minimizing resistance, and reducing toxicity. Deep learning approaches have significantly advanced …
View article: Targeting the Phosphoinositide 3-Kinase Signaling Pathway and Epidermal Growth Factor Receptor: The Potential of Dimethylcardamonin-Derived Amino Acids in Triple-Negative Breast Cancer Therapy
Targeting the Phosphoinositide 3-Kinase Signaling Pathway and Epidermal Growth Factor Receptor: The Potential of Dimethylcardamonin-Derived Amino Acids in Triple-Negative Breast Cancer Therapy Open
View article: Identification of sulfonylated indolo[1,2-<i>a</i>]quinolines as EGFR tyrosine kinase inhibitors
Identification of sulfonylated indolo[1,2-<i>a</i>]quinolines as EGFR tyrosine kinase inhibitors Open
A potential EGFR-TK inhibitor, 7-methyl-6-phenyl-5-tosylindolo[1,2- a ]quinoline (IQSO2R-I), is reported. It is as potent as afatinib in A549 cells, with slightly lower toxicity in Vero cells.
View article: Exploring novel furochochicine derivatives as promising JAK2 inhibitors in HeLa cells: Integrating docking, QSAR-ML, MD simulations, and experiments
Exploring novel furochochicine derivatives as promising JAK2 inhibitors in HeLa cells: Integrating docking, QSAR-ML, MD simulations, and experiments Open
Cervical cancer, largely driven by high-risk human papillomavirus (HPV), remains a global health challenge. Janus tyrosine kinase 2 (JAK2) has emerged as a promising therapeutic target for HPV-induced malignancies. This study employed both…
View article: Repurposing FDA-approved drugs targeting FZD10 in nasopharyngeal carcinoma: insights from molecular dynamics simulations and experimental validation
Repurposing FDA-approved drugs targeting FZD10 in nasopharyngeal carcinoma: insights from molecular dynamics simulations and experimental validation Open
Wnt signaling is a critical pathway implicated in cancer development, with Frizzled proteins, particularly FZD10, playing key roles in tumorigenesis and recurrence. This study focuses on the potential of repurposed FDA-approved drugs targe…
View article: Furopyridine Derivatives as Potent Inhibitors of the Wild Type, L858R/T790M, and L858R/T790M/C797S EGFR
Furopyridine Derivatives as Potent Inhibitors of the Wild Type, L858R/T790M, and L858R/T790M/C797S EGFR Open
The treatment of patients with nonsmall cell lung cancer (NSCLC) using epidermal growth factor receptor (EGFR) inhibitors is complicated by drug-sensitive activating L858R/T790M and L858R/T790M/C797S mutations. To overcome drug resistance,…
View article: Buparlisib and ponatinib inhibit aggressiveness of cholangiocarcinoma cells via suppression of IRS1-related pathway by targeting oxidative stress resistance
Buparlisib and ponatinib inhibit aggressiveness of cholangiocarcinoma cells via suppression of IRS1-related pathway by targeting oxidative stress resistance Open
Cholangiocarcinoma (CCA) is an oxidative stress-driven liver cancer with bile duct epithelial cell phenotypes and currently lacks effective treatments, making targeted drug therapy urgently needed. Oxidative stress plays a critical role in…
View article: Augmented Global Protein Acetylation Diminishes Cell Growth and Migration of Cholangiocarcinoma Cells
Augmented Global Protein Acetylation Diminishes Cell Growth and Migration of Cholangiocarcinoma Cells Open
We have previously shown that the overexpression of acetyl-CoA carboxylase 1 (ACC1) was associated with the poor prognosis of cholangiocarcinoma (CCA) patients, and suppression of its expression in CCA cell lines deteriorated cell growth. …
View article: Design, Synthesis, and Biological Evaluation of Darunavir Analogs as HIV-1 Protease Inhibitors
Design, Synthesis, and Biological Evaluation of Darunavir Analogs as HIV-1 Protease Inhibitors Open
Darunavir, a frontline treatment for HIV infection, faces limitations due to emerging multidrug resistant (MDR) HIV strains, necessitating the development of analogs with improved activity. In this study, a combinatorial in silico approach…
View article: Effect of functional groups in strawberry flavoring on pea protein-flavor interactions: Potential applicable in flavor formulation for plant-based protein aqueous foods
Effect of functional groups in strawberry flavoring on pea protein-flavor interactions: Potential applicable in flavor formulation for plant-based protein aqueous foods Open
This research aimed to explore binding interactions between pea protein isolate (PPI) and selected strawberry flavorings including vanillin, γ-decalactone, furaneol, and (Z)-3-hexen-1-ol within an aqueous system. The results showed …
View article: Machine-learning-assisted high-throughput identification of potent and stable neutralizing antibodies against all four dengue virus serotypes
Machine-learning-assisted high-throughput identification of potent and stable neutralizing antibodies against all four dengue virus serotypes Open
Several computational methods have been developed to identify neutralizing antibodies (NAbs) covering four dengue virus serotypes (DENV-1 to DENV-4); however, limitations of the dataset and the resulting performance remain. Here, we develo…
View article: Exploring the therapeutic potential of Thai medicinal plants: in vitro screening and in silico docking of phytoconstituents for novel anti-SARS-CoV-2 agents
Exploring the therapeutic potential of Thai medicinal plants: in vitro screening and in silico docking of phytoconstituents for novel anti-SARS-CoV-2 agents Open
Background The high virulence of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), responsible for coronavirus disease 2019 (COVID-19), has triggered global health and economic concerns. The absence of specific antiviral treatm…
View article: A novel chromone-based as a potential inhibitor of ULK1 that modulates autophagy and induces apoptosis in colon cancer
A novel chromone-based as a potential inhibitor of ULK1 that modulates autophagy and induces apoptosis in colon cancer Open
Aim: Chromones are promising for anticancer drug development.Methods & results: 12 chromone-based compounds were synthesized and tested against cancer cell lines. Compound 8 showed the highest cytotoxicity (LC50