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DeepAR: a novel deep learning-based hybrid framework for the interpretable prediction of androgen receptor antagonists
Drug resistance represents a major obstacle to therapeutic innovations and is a prevalent feature in prostate cancer (PCa). Androgen receptors (ARs)...
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Ternary catalytic α-deuteration of carboxylic acids
Efficient and practical construction of deuterated molecules has been a long-standing challenge. Although α-deutero carboxylic acids are ubiquitous...
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Vitamin K
Vitamin K is a fat-soluble vitamin that plays a significant role in blood coagulation and controlling excessive bleeding. Moreover, this vitamin...
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A nanogold supported inorganic/organic hybrid 3D sensor for electrochemical quantification of propranolol—effective antagonist of β-adrenergic receptors
The new hybrid inorganic/organic 3D nanogold electrode material composed of gold template, gold nanoparticles, 4-mercaptobutyric acid, and cysteamine...
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Quercetin, Engelitin and Caffeic Acid of Smilax china L. Polyphenols, Stimulate 3T3-L1 Adipocytes to Brown-like Adipocytes Via β3-AR/AMPK Signaling Pathway
The aim of the present study was to investigate the browning effects mechanism of Smilax china L. polyphenols (SCLP) and its monomer. In this study,...
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Anti-cell Proliferative Mechanism of Doxazosin on Human Oral Cancer Cells Through the Modulation of Antioxidant and Apoptotic Pathway
Oral squamous cell carcinoma (OSCC), a global threatening disease, is reported mostly in the middle and elderly male population. Even though the...
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Pheromone Reception
Insects are analytical chemists par excellence. They perceive the world through semiochemicals with inordinate sensitivity. A male moth, for example,...
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Expression and characterization of recombinant IL-1Ra in Aspergillus oryzae as a system
BackgroundThe interleukin-1 receptor antagonist (IL-1Ra) is a crucial molecule that counteracts the effects of interleukin-1 (IL-1) by binding to its...
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In Silico Study in MPO and Molecular Docking of the Synthetic Drynaran Analogues Against the Chronic Tinnitus: Modulation of the M1 Muscarinic Acetylcholine Receptor
Tinnitus is a syndrome that affects the human auditory system and is characterized by a perception of sounds in the absence of acoustic stimuli, or...
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Structure–Activity Relationships for Development of Neurokinin-3 Receptor Antagonists Reducing Environmental Impact
This book explores the possible development of neurokinin-3 receptor (NK3R) antagonists with reduced environmental impact.Pharmaceuticals are used to...
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Identification of G protein-coupled receptor 55 (GPR55) as a target of curcumin
The identification of molecular targets of bioactive food components is important to understand the mechanistic aspect of their physiological...
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Role of Computational Modeling in Drug Discovery for Alzheimer’s Disease
Researchers are striving hard for the last two decades to discover new therapeutically effective molecules for the treatment of Alzheimer’s...
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Target immobilization on glass microfiber membranes as a label-free strategy for hit identification
The discovery of novel chemical entities targeting G protein-coupled receptors (GPCRs) is usually guided by their receptor affinity. However,...
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Stability evaluation of Tc-99m radiolabeled GRPr antagonist with amino acid chelators
In order to select a chelator with excellent stability, easier radiolabeling process and low cost, GRPr antagonist RM26 with the amino acid based...
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Ultra-sensitive and selective fluorescence approach for estimation of elagolix in real human plasma and content uniformity using boron-doped carbon quantum dots
Elagolix (ELX) is an orally administered non-peptidic GnRH antagonist that has been approved by the Food and Drug Administration in 2018 for the...
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Decrease in leptin mediates rat bone metabolism impairments during high-fat diet-induced catch-up growth by modulating the OPG/RANKL balance
Due to catch-up growth (CUG), there are adverse effects on human health. However, there is little information about its influence on bone metabolism....
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Computational analyses of cooperativity between pnicogen and halogen bonds in H2FP:pyrimidine: ClF complex
The substituent effects on cooperativity between pnicogen and halogen bonds in ternary complexes involving pyrimidine with substituents X in the...
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Structural insights into the subtype-selective antagonist binding to the M2 muscarinic receptor
Human muscarinic receptor M 2 is one of the five subtypes of muscarinic receptors belonging to the family of G-protein-coupled receptors. Muscarinic...
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Isolation and identification of endophytic actinobacteria from Citrullus colocynthis (L.) Schrad and their antibacterial properties
BackgroundAntibiotic resistance poses a major threat to human health globally. Consequently, new antibiotics are desperately required to discover and...
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Hybridization of the effective pharmacophores for treatment of epilepsy: design, synthesis, in vivo anticonvulsant activity, and in silico studies of phenoxyphenyl-1,3,4-oxadiazole-thio-N-phenylacetamid hybrids
BackgroundEpilepsy is a common neurological disorder. The available drugs for this disease only control convulsions in nearly 70% of patients, while...
