AIMC Topic: Pyridines

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One-pot multicomponent synthesis of novel pyridine derivatives for antidiabetic and antiproliferative activities.

Future medicinal chemistry
Due to the close relationship of diabetes with hypertension reported in various research, a set of pyridine derivatives with US FDA-approved drug cores were designed and integrated by artificial intelligence. Novel pyridines were designed and synth...

Artificial intelligence-based identification of octenidine as a Bcl-xL inhibitor.

Biochemical and biophysical research communications
Apoptosis plays an essential role in maintaining cellular homeostasis and preventing cancer progression. Bcl-xL, an anti-apoptotic protein, is an important modulator of the mitochondrial apoptosis pathway and is a promising target for anticancer ther...

Synergistic drug combinations and machine learning for drug repurposing in chordoma.

Scientific reports
Chordoma is a devastating rare cancer that affects one in a million people. With a mean-survival of just 6 years and no approved medicines, the primary treatments are surgery and radiation. In order to speed new medicines to chordoma patients, a drug...

A Deep Neural Network for the Rapid Prediction of X-ray Absorption Spectra.

The journal of physical chemistry. A
X-ray spectroscopy delivers strong impact across the physical and biological sciences by providing end users with highly detailed information about the electronic and geometric structure of matter. To decode this information in challenging cases, , ...

Factor Xa inhibitors in clinical practice: Comparison of pharmacokinetic profiles.

Drug metabolism and pharmacokinetics
BACKGROUND: The anticoagulant actions of oral direct factor Xa (FXa) inhibitors can be inferred from their observed plasma concentrations; however, the steady-state pharmacokinetics (PK) of different FXa inhibitors have not been compared in clinicall...

Synthesis of Patient-Specific Transmission Data for PET Attenuation Correction for PET/MRI Neuroimaging Using a Convolutional Neural Network.

Journal of nuclear medicine : official publication, Society of Nuclear Medicine
Attenuation correction is a notable challenge associated with simultaneous PET/MRI, particularly in neuroimaging, where sharp boundaries between air and bone volumes exist. This challenge leads to concerns about the visual and, more specifically, qua...

Simultaneous quantification of batrachotoxin and epibatidine in plasma by ultra-performance liquid chromatography/tandem mass spectrometry.

Legal medicine (Tokyo, Japan)
An ultra-performance liquid chromatography/tandem mass spectrometry (UPLC-MS/MS) method was developed and validated for the simultaneous quantification of batrachotoxin and epibatidine in plasma. Plasma samples were pretreated by liquid-liquid extrac...

The safety and efficacy of full- versus reduced-dose betrixaban in the Acute Medically Ill VTE (Venous Thromboembolism) Prevention With Extended-Duration Betrixaban (APEX) trial.

American heart journal
BACKGROUND: The APEX trial assessed the safety and efficacy of extended-duration thromboprophylaxis using betrixaban versus standard dosing of enoxaparin among hospitalized, acutely ill medical patients. The 80-mg betrixaban dose was halved to 40 mg ...