Nopawit Khamto
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View article: Exploring the structural basis and functional immunodynamics of immunoglobulin M in host defense against fungal pathogens
Exploring the structural basis and functional immunodynamics of immunoglobulin M in host defense against fungal pathogens Open
The rising prevalence of life-threatening fungal infections, particularly in immunocompromised individuals, necessitates a deeper understanding of all facets of the host immune response. While much focus has been placed on cellular immunit…
View article: Inhibitory Effect of Boesenbergia rotunda and Its Major Flavonoids, Pinostrobin and Pinocembrin on Carbohydrate Digestive Enzymes and Intestinal Glucose Transport in Caco-2 Cells
Inhibitory Effect of Boesenbergia rotunda and Its Major Flavonoids, Pinostrobin and Pinocembrin on Carbohydrate Digestive Enzymes and Intestinal Glucose Transport in Caco-2 Cells Open
Boesenbergia rotunda (L.) Mansf., commonly known as fingerroot or “Kra-Chai,” is a traditional Thai medicinal plant used for treating digestive and metabolic disorders. Recent evidence highlights its potential role in controlling hyperglyc…
View article: Discovery of Galloyl–Flavonoid Conjugates as SARS-CoV-2 3CLpro Inhibitors: Understanding Binding Interactions Through Computational Approaches
Discovery of Galloyl–Flavonoid Conjugates as SARS-CoV-2 3CLpro Inhibitors: Understanding Binding Interactions Through Computational Approaches Open
The emergence of SARS-CoV-2 in 2019 posed significant global public health challenges. One of the most promising targets for novel antiviral drug development is the SARS-CoV-2 main protease (3CLpro). In this study, fragment molecular orbit…
View article: Molecular Dynamics Simulation to Explore Functional Regions Involving Pho4 Interaction with Co-Activator and PHO5 Promoter
Molecular Dynamics Simulation to Explore Functional Regions Involving Pho4 Interaction with Co-Activator and PHO5 Promoter Open
The PHO pathway is essential for the transcriptional response to inorganic phosphate starvation, and the core components are evolutionarily conserved across fungi. Pho4 and its co-activator Pho2 control the PHO5 gene expression and serve a…
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: Methyl itaconate–anthracene adducts (MIAs) facilitate the enantiomeric separation of 1,1′-bi-2-naphthols <i>via</i> thin-layer chromatography (TLC) with trends predicted by molecular dynamics simulations
Methyl itaconate–anthracene adducts (MIAs) facilitate the enantiomeric separation of 1,1′-bi-2-naphthols <i>via</i> thin-layer chromatography (TLC) with trends predicted by molecular dynamics simulations Open
MIAs as chiral resolving agents (CRAs) for BINOL derivatives.
View article: Discovery of amino acid-conjugated dimethylcardamonin analogues as potent anti-cervical cancer agents on SiHa cells targeting p53 signalling pathway
Discovery of amino acid-conjugated dimethylcardamonin analogues as potent anti-cervical cancer agents on SiHa cells targeting p53 signalling pathway Open
DMC (1) is a phytochemical found in the seeds of Syzygium nervosum, exhibiting anticancer activity in various cells through multiple pathways. Herein, the bioactivity of DMC (1) was enhanced by chemical modification through esterification,…
View article: Identification of Homeobox Transcription Factors in a Dimorphic Fungus Talaromyces marneffei and Protein-Protein Interaction Prediction of RfeB
Identification of Homeobox Transcription Factors in a Dimorphic Fungus Talaromyces marneffei and Protein-Protein Interaction Prediction of RfeB Open
Talaromyces marneffei is a thermally dimorphic fungus that can cause life-threatening systemic mycoses, particularly in immunocompromised individuals. Fungal homeobox transcription factors control various developmental processes, including…
View article: In Vitro Investigation of the Anti-Fibrotic Effects of 1-Phenyl-2-Pentanol, Identified from Moringa oleifera Lam., on Hepatic Stellate Cells
In Vitro Investigation of the Anti-Fibrotic Effects of 1-Phenyl-2-Pentanol, Identified from Moringa oleifera Lam., on Hepatic Stellate Cells Open
Liver fibrosis, characterized by excessive extracellular matrix deposition, is driven by activated hepatic stellate cells (HSCs). Due to the limited availability of anti-fibrotic drugs, the research on therapeutic agents continues. Here we…
View article: Synthesis and biological evaluation of imidazolium conjugated with dimethylcardamonin (DMC) as a novel potential agent against MDA-MB-231 triple-negative breast cancer cells
Synthesis and biological evaluation of imidazolium conjugated with dimethylcardamonin (DMC) as a novel potential agent against MDA-MB-231 triple-negative breast cancer cells Open
A new imidazolium ionic liquid (IL) halide conjugated with dimethylcardamonin (DMC, 1), namely [Bbim]Br-DMC (3), was synthesised to improve the biological activity of the natural chalcone. DMC was isolated from seeds of Syzygium nervosum A…
View article: Input parameters and output trajectory files for manuscript "Inhibitory Activity of Flavonoid Scaffolds on SARS-CoV-2 3CLPro: Insights from the Computational and Experimental Investigations"
Input parameters and output trajectory files for manuscript "Inhibitory Activity of Flavonoid Scaffolds on SARS-CoV-2 3CLPro: Insights from the Computational and Experimental Investigations" Open
Input parameters used for molecular dynamics simulations on GROMACS 2022 software and the output trajectory files for calculating binding free energy, in the manuscript with the title: "Inhibitory Activity of Flavonoid Scaffolds on SARS-Co…
View article: Input parameters and output trajectory files for manuscript "Inhibitory Activity of Flavonoid Scaffolds on SARS-CoV-2 3CLPro: Insights from the Computational and Experimental Investigations"
Input parameters and output trajectory files for manuscript "Inhibitory Activity of Flavonoid Scaffolds on SARS-CoV-2 3CLPro: Insights from the Computational and Experimental Investigations" Open
<p>Input parameters used for molecular dynamics simulations on GROMACS 2022 software and the output trajectory files for calculating binding free energy, in the manuscript with the title: "Inhibitory Activity of Flavonoid S…
View article: Input parameters and output trajectory files for manuscript "Inhibitory Activity of Flavonoid Scaffolds on SARS-CoV-2 3CLPro: Insights from the Computational and Experimental Investigations"
Input parameters and output trajectory files for manuscript "Inhibitory Activity of Flavonoid Scaffolds on SARS-CoV-2 3CLPro: Insights from the Computational and Experimental Investigations" Open
<p>Input parameters used for molecular dynamics simulations on GROMACS 2022 software and the output trajectory files for calculating binding free energy, in the manuscript with the title: "Inhibitory Activity of Flavonoid S…
View article: Pentagalloyl Glucose-Targeted Inhibition of P-Glycoprotein and Re-Sensitization of Multidrug-Resistant Leukemic Cells (K562/ADR) to Doxorubicin: In Silico and Functional Studies
Pentagalloyl Glucose-Targeted Inhibition of P-Glycoprotein and Re-Sensitization of Multidrug-Resistant Leukemic Cells (K562/ADR) to Doxorubicin: In Silico and Functional Studies Open
Combining phytochemicals with chemotherapeutic drugs has demonstrated the potential to surmount drug resistance. In this paper, we explore the efficacy of pentagalloyl glucose (PGG) in modulating P-gp and reversing multidrug resistance (MD…
View article: Structure–Activity Relationship and Molecular Docking of Quinazolinones Inhibiting Expression of COX-2, IL-1β, iNOS, and TNF-α through NF-κB Pathways
Structure–Activity Relationship and Molecular Docking of Quinazolinones Inhibiting Expression of COX-2, IL-1β, iNOS, and TNF-α through NF-κB Pathways Open
The quinazolinone scaffold is found in natural products and biologically active compounds, including inflammatory inhibitors. Major proteins or enzymes involved in the inflammation process are regulated by the amount of gene expression. Qu…
View article: Input parameters and output trajectory files for manuscript "Inhibitory Activity of Flavonoid Scaffolds on SARS-CoV-2 3CLPro: Insights from the Computational and Experimental Investigations"
Input parameters and output trajectory files for manuscript "Inhibitory Activity of Flavonoid Scaffolds on SARS-CoV-2 3CLPro: Insights from the Computational and Experimental Investigations" Open
Input parameters used for molecular dynamics simulations on GROMACS 2022 software and the output trajectory files for calculating binding free energy, in the manuscript with the title: "Inhibitory Activity of Flavonoid Scaffolds on SARS-Co…
View article: 2′,4′-Dihydroxy-6′‑methoxy-3′,5′-dimethylchalcone and its amino acid-conjugated derivatives induce G0/G1 cell cycle arrest and apoptosis via BAX/BCL2 ratio upregulation and in silico insight in SiHa cell lines
2′,4′-Dihydroxy-6′‑methoxy-3′,5′-dimethylchalcone and its amino acid-conjugated derivatives induce G0/G1 cell cycle arrest and apoptosis via BAX/BCL2 ratio upregulation and in silico insight in SiHa cell lines Open
We modified the chemical structure of 2',4'-dihydroxy-6'‑methoxy-3',5'-dimethylchalcone (DMC, 1), a phytochemical found in the seed of Syzygium nervosum A.Cunn. ex DC., by conjugation with the amino acid L-alanine (compound 3a) or L-valine…
View article: Biological Activities of Extracts and Secondary Metabolites from Millettia phuwuaensis
Biological Activities of Extracts and Secondary Metabolites from Millettia phuwuaensis Open
A study of the phytochemicals constituents of the stems of, Millettia phuwuaensis has led to the isolation of 7-methoxy-5/,6/- methylenedioxyisoflavone (1), and 12-deoxo-12α-hydroxyelliptone (2. Their structures were confirmed using NMR s…
View article: Characterization of Chemical Constituent and Biological Activity of Roots from Cleistanthus oblonggifolius (Roxb.) Mull. Arg
Characterization of Chemical Constituent and Biological Activity of Roots from Cleistanthus oblonggifolius (Roxb.) Mull. Arg Open
Background: C. oblongifolius is a species of Asian trees, originally described by William Roxburgh and later placed by Johannes Müller Argoviensis; it is now included in the family Phyllanthaceae. Distributed throughout Indochina and Males…
View article: Pentagalloyl Glucose and Cisplatin Combination Treatment Exhibits a Synergistic Anticancer Effect in 2D and 3D Models of Head and Neck Carcinoma
Pentagalloyl Glucose and Cisplatin Combination Treatment Exhibits a Synergistic Anticancer Effect in 2D and 3D Models of Head and Neck Carcinoma Open
Although cisplatin is a first-line chemotherapy drug for head and neck squamous cell carcinoma (HNSCC), its therapeutic efficacy is limited owing to serious side effects and acquired drug resistance. This study determined whether combining…
View article: Structural characteristics and biological activities of extracts and secondary metabolites from Millettia phuwuaensis Mattapha &amp; Suddee
Structural characteristics and biological activities of extracts and secondary metabolites from Millettia phuwuaensis Mattapha & Suddee Open
A study of the phytochemicals of stems, Millettia phuwuaensis. This led to the discovery of solvent extracts and pure substances from chromatography. Compound (1), 7-methoxy-5/,6/-methylenedioxyisoflavone, isoflavonoid, and compound (2), 1…
View article: Effects of 2′,4′-Dihydroxy-6′-methoxy-3′,5′-dimethylchalcone from Syzygium nervosum Seeds on Antiproliferative, DNA Damage, Cell Cycle Arrest, and Apoptosis in Human Cervical Cancer Cell Lines
Effects of 2′,4′-Dihydroxy-6′-methoxy-3′,5′-dimethylchalcone from Syzygium nervosum Seeds on Antiproliferative, DNA Damage, Cell Cycle Arrest, and Apoptosis in Human Cervical Cancer Cell Lines Open
2′,4′-Dihydroxy-6′-methoxy-3′,5′-dimethylchalcone (DMC), a natural product derived from Syzygium nervosum A. Cunn. ex DC., was investigated for its inhibitory activities against various cancer cell lines. In this work, we investigated the …
View article: CCDC 1873119: Experimental Crystal Structure Determination
CCDC 1873119: Experimental Crystal Structure Determination Open
View article: CCDC 2094086: Experimental Crystal Structure Determination
CCDC 2094086: Experimental Crystal Structure Determination Open
View article: CCDC 2094178: Experimental Crystal Structure Determination
CCDC 2094178: Experimental Crystal Structure Determination Open
View article: CCDC 2094087: Experimental Crystal Structure Determination
CCDC 2094087: Experimental Crystal Structure Determination Open
View article: Synthesis, cytotoxicity evaluation and molecular docking studies on 2′,4′-dihydroxy-6′-methoxy-3′,5′-dimethylchalcone derivatives
Synthesis, cytotoxicity evaluation and molecular docking studies on 2′,4′-dihydroxy-6′-methoxy-3′,5′-dimethylchalcone derivatives Open
Semi-synthetic DMC derivatives were synthesised and displayed biological potency against various cancer cell lines.
View article: Correction: Synthesis and application of methyl itaconate–anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR
Correction: Synthesis and application of methyl itaconate–anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR Open
Correction for ‘Synthesis and application of methyl itaconate–anthracene adducts in configuration assignment of chiral secondary alcohols by 1 H NMR’ by Puracheth Rithchumpon et al. , Org. Biomol. Chem. , 2021, DOI: 10.1039/D1OB01387D.