Repurposing FDA-Approved Agents to Develop a Prototype Helicobacter pylori Shikimate Kinase (HPSK) Inhibitor: A Computational Approach Using Virtual Screening, MM-GBSA Calculations, MD Simulations, and DFT Analysis [PDF]
PharmaceuticalsBackground/Objectives: Helicobacter pylori infects approximately half of the global population, causing chronic gastritis, peptic ulcers, and gastric cancer, a leading cause of cancer mortality.
Abdulaziz H. Al Khzem +11 more
doaj +2 more sources
Molecular cloning and functional characterization of the shikimate kinase gene from Baphicacanthus cusia [PDF]
Frontiers in Plant ScienceBaphicacanthus cusia (Nee) Bremek, a perennial herbaceous plant with medicinal properties, has limited genomic insights regarding the genes involved in its indole alkaloid biosynthesis pathway.
Yuxiang Huang +10 more
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Mechanism of irreversible inhibition of Mycobacterium tuberculosis shikimate kinase by ilimaquinone. [PDF]
Biochim Biophys Acta Proteins Proteom, 2018 Ilimaquinone (IQ), a marine sponge metabolite, has been considered as a potential therapeutic agent for various diseases due to its broad range of biological activities. We show that IQ irreversibly inactivates Mycobacterium tuberculosis shikimate kinase (MtSK) through covalent modification of the protein.
Simithy J +6 more
europepmc +5 more sources
Structures of Helicobacter pylori shikimate kinase reveal a selective inhibitor-induced-fit mechanism. [PDF]
PLoS ONE, 2012 Shikimate kinase (SK), which catalyzes the specific phosphorylation of the 3-hydroxyl group of shikimic acid in the presence of ATP, is the enzyme in the fifth step of the shikimate pathway for biosynthesis of aromatic amino acids.
Wen-Chi Cheng +7 more
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Biophysica, 2021 The chemical step of Shikimate Kinase Helicobacter pylori, involving the transfer of a phosphoryl group, has been studied by using quantum mechanical and molecular mechanical (QM/MM) methods.
Pedro Ojeda-May
doaj +3 more sources
The role of the C8 proton of ATP in the catalysis of shikimate kinase and adenylate kinase. [PDF]
BMC Biochem, 2012 It has been demonstrated that the adenyl moiety of ATP plays a direct role in the regulation of ATP binding and/or phosphoryl transfer within a range of kinase and synthetase enzymes. The role of the C8-H of ATP in the binding and/or phosphoryl transfer on the enzyme activity of a number of kinase and synthetase enzymes has been elucidated.
Kenyon CP, Roth RL.
europepmc +4 more sources
Slow-Binding Inhibition of Mycobacterium tuberculosis Shikimate Kinase by Manzamine Alkaloids. [PDF]
Biochemistry, 2018 Tuberculosis represents a significant public health crisis. There is an urgent need for novel molecular scaffolds against this pathogen. We screened a small library of marine-derived compounds against shikimate kinase from Mycobacterium tuberculosis ( MtSK), a promising target for antitubercular drug development.
Simithy J +10 more
europepmc +5 more sources
Comparative transcriptomic dynamics reveal molecular responses of susceptible and resistant Triticum aestivum genotypes to wheat stripe mosaic virus [PDF]
Scientific ReportsSoil-borne wheat mosaic disease (SBWMD), caused by wheat stripe mosaic virus (WhSMV), poses an emerging threat to wheat production in South America. In this study, we analyzed the transcriptomic responses of two Triticum aestivum genotypes exhibiting ...
Samara Campos Nascimento +9 more
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Interplay of rice vitamin E under osmotic and extreme temperature stresses revealed by a comparative transcriptomic approach [PDF]
BMC Plant BiologyBackground Rice (Oryza sativa L.) is vulnerable to abiotic challenges. Understanding stress response mechanisms is therefore a priority for enhancing rice development. Tocopherol is a known antioxidant that helps plants adapt to various abiotic stresses.
Sara Kazemzadeh +3 more
doaj +2 more sources
In silico approach towards the identification of potential inhibitors from Curcuma amada Roxb against H. pylori: ADMET screening and molecular docking studies [PDF]
BioImpacts, 2021 Introduction: The present study attempts to identify potential targets of H. pylori for novel inhibitors from therapeutic herb, mango ginger (Curcuma amada Roxb.).
G Divyashri +6 more
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