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Crystallographic Studies of Native and Mutant Orotidine 5′phosphate Decarboxylases
This review aims to use the results of an approach combining crystallographic structure analysis with mutational studies as a framework for the...
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Survey of Enzymological Data on ODCase
OMP decarboxylase (ODCase) has been the subject of enzymological, structural, and theoretical studies for several decades, yet its highly proficient...
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Catalysis by Enzyme Conformational Change
An energy decomposition scheme is presented to elucidate the importance of the change of protein conformation substates to the reduction of...
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Insight into the Catalytic Mechanism of Orotidine 5′-phosphate Decarboxylase from Crystallography and Mutagenesis
With a half-time of 78 million years at room temperature, the spontaneous decarboxylation of orotidine 5′-phosphate (OMP) is among the slowest...
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What Has Theory and Crystallography Revealed About the Mechanism of Catalysis by Orotidine Monophosphate Decarboxylase?
In 1995, Wolfenden and Radzicka showed that orotidine 5′-monophosphate decarboxylase (ODCase) was the most proficient enzyme. Since then, the...
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Develo** Active Site Models of ODCase—from Large Quantum Models to a QM/MM Approach
The catalytic mechanism of orotidine monophosphate decarboxylase (ODCase) has been modeled using density functional theory with the B3LYP functional....
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Unveiling piperazine-quinoline hybrids as potential multi-target directed anti-Alzheimer’s agents: design, synthesis and biological evaluation
Multi-target directed ligands (MTDLs) have recently been popularized due to their outstanding efficacy in combating the complicated features of...
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Herbidomicins, two pairs of polyketide tautomers produced by an actinomycete of the genus Herbidospora
Herbidospora is one of the underexplored actinomycete genera from which only a limited number of secondary metabolites are reported. In our...
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Elucidating CTLA-4’s role in tumor immunity: a comprehensive overview of targeted antibody therapies and clinical developments
Cytotoxic T-lymphocyte-associated antigen 4 (CTLA-4) emerges as a key single-chain transmembrane glycoprotein predominantly expressed in effector T...
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An updated and comprehensive review of traditional uses, phytochemistry, and pharmacological progress on the Hypecoum genus
The Hypecoum genus belongs to the family Papaveraceae, consists of roughly 16 accepted species, and is extensively distributed from the Mediterranean...
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Investigation of cholinesterase and α-glucosidase enzyme activities, and molecular docking and dft studies for 1,2-disubstituted cyclopentane derivatives with phenyl and benzyl units
Six known products ( 4 – 9 ) were prepared from reaction of adipoyl chloride with 1,2,3-trimethoxybenzene according to the literature. From...
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Computational discovery of AKT serine/threonine kinase 1 inhibitors through shape screening for rheumatoid arthritis intervention
Rheumatoid Arthritis (RA) is a chronic, symmetrical inflammatory autoimmune disorder characterized by painful, swollen synovitis and joint erosions,...
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Construction of IRAK4 inhibitor activity prediction model based on machine learning
Interleukin-1 receptor-associated kinase 4 (IRAK4) is a crucial serine/threonine protein kinase that belongs to the IRAK family and plays a pivotal...
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Sustainable extraction methods for the recovery of polyphenolic compounds from grape pomace and its biological properties: a comprehensive review
Grape pomace (seeds, skin, and stalks) holds promise as a feedstock for various industrial applications. This comprehensive review describes...
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Repurposing of dibucaine and niflumic acid as antimicrobial agents in combination with antibiotics against Staphylococcus aureus
The versatile human commensal bacteria and pathogen Staphylococcus aureus cause several community and hospital-acquired illnesses associated with...
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A comprehensive review on essential oils and extracts from Iris rhizomes
Iris spp. rhizomes (commonly known as orris rhizomes) are a precious raw material used in perfumery, as sources of high-value violet odorant...
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Symphytum genus—from traditional medicine to modern uses: an update on phytochemistry, pharmacological activity, and safety
With around 34 recognized species, Symphytum genus (comfrey) has a noteworthy position within the Boraginaceae family. Comfrey species have been...
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Identification of potential PIM-2 inhibitors via ligand-based generative models, molecular docking and molecular dynamics simulations
Proviral Integrations of Moloney-2 (PIM-2) kinase is a promising target for various cancers and other diseases, and its inhibitors hold potential for...
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Exploring putative drug properties associated with TNF-alpha inhibition and identification of potential targets in cardiovascular disease using machine learning-assisted QSAR modeling and virtual reverse pharmacology approach
Cardiovascular disease is a chronic inflammatory disease with high mortality rates. TNF-alpha is pro-inflammatory and associated with the disease,...
