Computational screening of fatty acid synthase inhibitors against thioesterase domain

Computational screening of fatty acid synthase inhibitors against thioesterase domain

© 2017 Informa UK Limited, trading as Taylor & Francis Group Thioesterase (TE) domain of fatty acid synthase (FAS) is an attractive therapeutic target for design and development of anticancer drugs. In this present work, we search for the potential FAS inhibitors of TE domain from the ZINC dat...

وصف كامل

محفوظ في:

التفاصيل البيبلوغرافية
المؤلفون الرئيسيون:	Wanwisa Panman, Bodee Nutho, Supakarn Chamni, Supaporn Dokmaisrijan, Nawee Kungwan, Thanyada Rungrotmongkol
التنسيق:	دورية
منشور في:	2018
الموضوعات:	Biochemistry, Genetics and Molecular Biology Agricultural and Biological Sciences Arts and Humanities
الوصول للمادة أونلاين:	https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85038030583&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/43422
الوسوم:	إضافة وسم لا توجد وسوم, كن أول من يضع وسما على هذه التسجيلة!

مواد مشابهة

Computational screening of fatty acid synthase inhibitors against thioesterase domain
بواسطة: Wanwisa Panman, وآخرون
منشور في: (2018)

Screening of hepatitis C NS5B polymerase inhibitors containing benzothiadiazine core: a steered molecular dynamics
بواسطة: Bodee Nutho, وآخرون
منشور في: (2018)

Screening of hepatitis C NS5B polymerase inhibitors containing benzothiadiazine core: a steered molecular dynamics
بواسطة: Bodee Nutho, وآخرون
منشور في: (2018)

Structural dynamics and binding free energy of neral-cyclodextrins inclusion complexes: Molecular dynamics simulation
بواسطة: Peerapong Wongpituk, وآخرون
منشور في: (2018)

Metadynamics supports molecular dynamics simulation-based binding affinities of eucalyptol and beta-cyclodextrin inclusion complexes
بواسطة: Bodee Nutho, وآخرون
منشور في: (2018)

Structural dynamics and binding free energy of neral-cyclodextrins inclusion complexes: Molecular dynamics simulation
بواسطة: Peerapong Wongpituk, وآخرون
منشور في: (2018)

Discovery of C-12 dithiocarbamate andrographolide analogues as inhibitors of SARS-CoV-2 main protease: In vitro and in silico studies
بواسطة: Bodee Nutho, وآخرون
منشور في: (2022)

Conjugated biopolymer-assisted the binding of polypropylene toward single-walled carbon nanotube: A molecular dynamics simulation
بواسطة: Wanwisa Panman, وآخرون
منشور في: (2019)

Exploring of paritaprevir and glecaprevir resistance due to A156T mutation of HCV NS3/4A protease: molecular dynamics simulation study
بواسطة: Thitiya Boonma, وآخرون
منشور في: (2021)

A spectroscopic study of indigo dye in aqueous solution: A combined experimental and TD-DFT study
بواسطة: Naparat Jiwalak, وآخرون
منشور في: (2018)

Metadynamics supports molecular dynamics simulation-based binding affinities of eucalyptol and beta-cyclodextrin inclusion complexes
بواسطة: Bodee Nutho, وآخرون
منشور في: (2018)

Low susceptibility of asunaprevir towards R155K and D168A point mutations in HCV NS3/4A protease: A molecular dynamics simulation
بواسطة: Jirayu Kammarabutr, وآخرون
منشور في: (2019)

Genetic and metabolic engineering of medium chain fatty acids synthesis in yeast : role of thioesterases.
بواسطة: Lee, Benedict Jia Hong.
منشور في: (2013)

Effect of D168V mutation in NS3/4A HCV protease on susceptibilities of faldaprevir and danoprevir
بواسطة: Arthitaya Meeprasert, وآخرون
منشور في: (2018)

Protein–protein interactions between SWCNT/chitosan/EGF and EGF receptor: a model of drug delivery system
بواسطة: Chompoonut Rungnim, وآخرون
منشور في: (2018)

HETEROLOGOUS EXPRESSION AND CHARACTERIZATION OF THIOESTERASE
بواسطة: MAHARDIKA (NIM:20516030), GITA

Molecular recognition of naphthoquinone-containing compounds against human DNA topoisomerase IIα ATPase domain: A molecular modeling study
بواسطة: Panupong Mahalapbutr, وآخرون
منشور في: (2018)

Molecular insights into inclusion complexes of mansonone E and H enantiomers with various β-cyclodextrins
بواسطة: Panupong Mahalapbutr, وآخرون
منشور في: (2018)

Molecular insights into inclusion complexes of mansonone E and H enantiomers with various β-cyclodextrins
بواسطة: Panupong Mahalapbutr, وآخرون
منشور في: (2018)

CETSA screening identifies known and novel thymidylate synthase inhibitors and slow intracellular activation of 5-fluorouracil
بواسطة: Almqvist, Helena, وآخرون
منشور في: (2018)

Screening of hepatitis C NS5B polymerase inhibitors containing benzothiadiazine core: a steered molecular dynamics
بواسطة: Nutho B., وآخرون
منشور في: (2017)

Design of novel F-ATP synthase inhibitors of mycobacterium tuberculosis
بواسطة: Hotra, Adam
منشور في: (2018)

Bibenzyl analogue DS-1 inhibits MDM2-mediated p53 degradation and sensitizes apoptosis in lung cancer cells
بواسطة: Hardyanti Eka Putri, وآخرون
منشور في: (2022)

Glycan binding and specificity of viral influenza neuraminidases by classical molecular dynamics and replica exchange molecular dynamics simulations
بواسطة: Jiraphorn Phanich, وآخرون
منشور في: (2018)

Susceptibility of inhibitors against 3C protease of coxsackievirus A16 and enterovirus A71 causing hand, foot and mouth disease: A molecular dynamics study
بواسطة: W. Jetsadawisut, وآخرون
منشور في: (2018)

LC-BLYP Calculations of the Structures an Photophysical Properties of [1,3]Thiazolo[4,5- b]pyrazine Derivatives in Cyclohexane an Methanol
بواسطة: Supaporn Dokmaisrijan, وآخرون
منشور في: (2020)

Reaction mechanisms of substrate and inhibitor with ns2b/ns3 serine protease of zika virus by mm and qm/mm simulations
بواسطة: Bodee Nutho
منشور في: (2018)

Synthesis of Mycobacterium tuberculosis ATP synthase inhibitors
بواسطة: Pattarakiat, Seankongsuk
منشور في: (2022)

Crystal structure of the acyltransferase domain of the iterative polyketide synthase in enediyne biosynthesis
بواسطة: Liew, Chong Wai, وآخرون
منشور في: (2013)

Insights into the programmed ketoreduction of partially reducing polyketide synthases : stereo- and substrate-specificity of the ketoreductase domain
بواسطة: Soehano, Ishin, وآخرون
منشور في: (2015)

Publisher Correction: Atomistic mechanisms underlying the activation of the G protein-coupled sweet receptor heterodimer by sugar alcohol recognition (Scientific Reports, (2019), 9, 1, (10205), 10.1038/s41598-019-46668-w)
بواسطة: Panupong Mahalapbutr, وآخرون
منشور في: (2020)

Atomistic mechanisms underlying the activation of the G protein-coupled sweet receptor heterodimer by sugar alcohol recognition
بواسطة: Panupong Mahalapbutr, وآخرون
منشور في: (2019)

Conjugated Biopolymer-assisted the Binding of Polypropylene Toward Single-walled Carbon Nanotube: A Molecular Dynamics Simulation
بواسطة: Wanwisa Panman, وآخرون
منشور في: (2019)

Structural dynamics and in silico design of pyrazolopyran-based inhibitors against Plasmodium serine hydroxymethyltransferases
بواسطة: Pitchayathida Mee-udorn, وآخرون
منشور في: (2022)

Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase
بواسطة: Jarunee Vanichtanankul, وآخرون
منشور في: (2022)

Cellular and molecular responses of Dunaliella tertiolecta by expression of a plant medium chain length fatty acid specific acyl-ACP thioesterase
بواسطة: Lin H., وآخرون
منشور في: (2020)

BCR-ABL kinase domain mutations in tyrosine kinase inhibitors-naïve and -exposed Southeast Asian chronic myeloid leukemia patients
بواسطة: Wanwisa Wongboonma, وآخرون
منشور في: (2018)

Discovery of C-12 dithiocarbamate andrographolide analogues as inhibitors of SARS-CoV-2 main protease: In vitro and in silico studies
بواسطة: Nutho B.
منشور في: (2023)

Binding specificity of polypeptide substrates in NS2B/NS3pro serine protease of dengue virus type 2: A molecular dynamics Study
بواسطة: Pathumwadee Yotmanee, وآخرون
منشور في: (2018)

A study of the functional domains of the type I iterative polyketide synthase CalE8 in calicheamicin biosynthesis.
بواسطة: Elavazhagan Murugan.
منشور في: (2013)