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Items: 1 to 20 of 74

1.

Discovery of a novel chalcone derivative inhibiting CFTR chloride channel via AMPK activation and its anti-diarrheal application.

Yibcharoenporn C, Chusuth P, Jakakul C, Rungrotmongkol T, Chavasiri W, Muanprasat C.

J Pharmacol Sci. 2019 Jul 31. pii: S1347-8613(19)35692-0. doi: 10.1016/j.jphs.2019.07.012. [Epub ahead of print]

PMID:
31444000
2.

Binding recognition of substrates in NS2B/NS3 serine protease of Zika virus revealed by molecular dynamics simulations.

Nutho B, Rungrotmongkol T.

J Mol Graph Model. 2019 Aug 2;92:227-235. doi: 10.1016/j.jmgm.2019.08.001. [Epub ahead of print]

PMID:
31401441
3.

Atomistic mechanisms underlying the activation of the G protein-coupled sweet receptor heterodimer by sugar alcohol recognition.

Mahalapbutr P, Darai N, Panman W, Opasmahakul A, Kungwan N, Hannongbua S, Rungrotmongkol T.

Sci Rep. 2019 Jul 15;9(1):10205. doi: 10.1038/s41598-019-46668-w.

4.

Heterogeneous photocatalytic degradation of diuron on zinc oxide: Influence of surface-dependent adsorption on kinetics, degradation pathway, and toxicity of intermediates.

Meephon S, Rungrotmongkol T, Puttamat S, Praserthdam S, Pavarajarn V.

J Environ Sci (China). 2019 Oct;84:97-111. doi: 10.1016/j.jes.2019.04.016. Epub 2019 Apr 25.

PMID:
31284920
5.

The reaction mechanism of Zika virus NS2B/NS3 serine protease inhibition by dipeptidyl aldehyde: a QM/MM study.

Nutho B, Mulholland AJ, Rungrotmongkol T.

Phys Chem Chem Phys. 2019 Jul 10;21(27):14945-14956. doi: 10.1039/c9cp02377a.

PMID:
31236554
6.

A flap motif in human serine hydroxymethyltransferase is important for structural stabilization, ligand binding, and control of product release.

Ubonprasert S, Jaroensuk J, Pornthanakasem W, Kamonsutthipaijit N, Wongpituk P, Mee-Udorn P, Rungrotmongkol T, Ketchart O, Chitnumsub P, Leartsakulpanich U, Chaiyen P, Maenpuen S.

J Biol Chem. 2019 Jul 5;294(27):10490-10502. doi: 10.1074/jbc.RA119.007454. Epub 2019 May 22.

PMID:
31118236
7.

Cavity Closure of 2-Hydroxypropyl-β-Cyclodextrin: Replica Exchange Molecular Dynamics Simulations.

Kerdpol K, Kicuntod J, Wolschann P, Mori S, Rungnim C, Kunaseth M, Okumura H, Kungwan N, Rungrotmongkol T.

Polymers (Basel). 2019 Jan 16;11(1). pii: E145. doi: 10.3390/polym11010145.

8.

Butoxy Mansonone G Inhibits STAT3 and Akt Signaling Pathways in Non-Small Cell Lung Cancers: Combined Experimental and Theoretical Investigations.

Mahalapbutr P, Wonganan P, Chavasiri W, Rungrotmongkol T.

Cancers (Basel). 2019 Mar 28;11(4). pii: E437. doi: 10.3390/cancers11040437.

9.

Biological Evaluation and Molecular Dynamics Simulation of Chalcone Derivatives as Epidermal Growth Factor-Tyrosine Kinase Inhibitors.

Sangpheak K, Tabtimmai L, Seetaha S, Rungnim C, Chavasiri W, Wolschann P, Choowongkomon K, Rungrotmongkol T.

Molecules. 2019 Mar 20;24(6). pii: E1092. doi: 10.3390/molecules24061092.

10.

Low susceptibility of asunaprevir towards R155K and D168A point mutations in HCV NS3/4A protease: A molecular dynamics simulation.

Kammarabutr J, Mahalapbutr P, Nutho B, Kungwan N, Rungrotmongkol T.

J Mol Graph Model. 2019 Jun;89:122-130. doi: 10.1016/j.jmgm.2019.03.006. Epub 2019 Mar 11.

PMID:
30884449
11.

Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations Support a Concerted Reaction Mechanism for the Zika Virus NS2B/NS3 Serine Protease with Its Substrate.

Nutho B, Mulholland AJ, Rungrotmongkol T.

J Phys Chem B. 2019 Apr 4;123(13):2889-2903. doi: 10.1021/acs.jpcb.9b02157. Epub 2019 Mar 15.

PMID:
30845796
12.

Interactions of HLA-DR and Topoisomerase I Epitope Modulated Genetic Risk for Systemic Sclerosis.

Kongkaew S, Rungrotmongkol T, Punwong C, Noguchi H, Takeuchi F, Kungwan N, Wolschann P, Hannongbua S.

Sci Rep. 2019 Jan 24;9(1):745. doi: 10.1038/s41598-018-37038-z.

13.

Cardol triene inhibits dengue infectivity by targeting kl loops and preventing envelope fusion.

Kanyaboon P, Saelee T, Suroengrit A, Hengphasatporn K, Rungrotmongkol T, Chavasiri W, Boonyasuppayakorn S.

Sci Rep. 2018 Nov 9;8(1):16643. doi: 10.1038/s41598-018-35035-w.

14.

Computational screening of chalcones acting against topoisomerase IIα and their cytotoxicity towards cancer cell lines.

Sangpheak K, Mueller M, Darai N, Wolschann P, Suwattanasophon C, Ruga R, Chavasiri W, Seetaha S, Choowongkomon K, Kungwan N, Rungnim C, Rungrotmongkol T.

J Enzyme Inhib Med Chem. 2019 Dec;34(1):134-143. doi: 10.1080/14756366.2018.1507029.

15.

Glycan binding and specificity of viral influenza neuraminidases by classical molecular dynamics and replica exchange molecular dynamics simulations.

Phanich J, Threeracheep S, Kungwan N, Rungrotmongkol T, Hannongbua S.

J Biomol Struct Dyn. 2019 Aug;37(13):3354-3365. doi: 10.1080/07391102.2018.1514326. Epub 2018 Nov 25.

PMID:
30126341
16.

Proteome-wide identification of epitope-based vaccine candidates against multi-drug resistant Proteus mirabilis.

Ehsan N, Ahmad S, Azam SS, Rungrotmongkol T, Uddin R.

Biologicals. 2018 Sep;55:27-37. doi: 10.1016/j.biologicals.2018.07.004. Epub 2018 Aug 2.

PMID:
30078661
17.

Nitric oxide promotes cancer cell dedifferentiation by disrupting an Oct4:caveolin-1 complex: A new regulatory mechanism for cancer stem cell formation.

Maiuthed A, Bhummaphan N, Luanpitpong S, Mutirangura A, Aporntewan C, Meeprasert A, Rungrotmongkol T, Rojanasakul Y, Chanvorachote P.

J Biol Chem. 2018 Aug 31;293(35):13534-13552. doi: 10.1074/jbc.RA117.000287. Epub 2018 Jul 9.

PMID:
29986880
18.

Immuno-informatics driven proteome-wide investigation revealed novel peptide-based vaccine targets against emerging multiple drug resistant Providencia stuartii.

Asad Y, Ahmad S, Rungrotmongkol T, Ranaghan KE, Azam SS.

J Mol Graph Model. 2018 Mar;80:238-250. doi: 10.1016/j.jmgm.2018.01.010. Epub 2018 Jan 31.

PMID:
29414043
19.

Theoretical and Experimental Studies on Inclusion Complexes of Pinostrobin and β-Cyclodextrins.

Kicuntod J, Sangpheak K, Mueller M, Wolschann P, Viernstein H, Yanaka S, Kato K, Chavasiri W, Pongsawasdi P, Kungwan N, Rungrotmongkol T.

Sci Pharm. 2018 Jan 30;86(1). pii: E5. doi: 10.3390/scipharm86010005.

20.

A novel flavanone derivative inhibits dengue virus fusion and infectivity.

Srivarangkul P, Yuttithamnon W, Suroengrit A, Pankaew S, Hengphasatporn K, Rungrotmongkol T, Phuwapraisirisan P, Ruxrungtham K, Boonyasuppayakorn S.

Antiviral Res. 2018 Mar;151:27-38. doi: 10.1016/j.antiviral.2018.01.010. Epub 2018 Feb 3.

PMID:
29360474

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