AIMC Topic: Thiophenes

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Design, synthesis, deep learning-guided prediction, and biological evaluation of novel pyridine-thiophene-based imine-benzalacetophenone hybrids as promising antimicrobial agent.

Journal of computer-aided molecular design
Antimicrobial resistance (AMR) remains a global health crisis, necessitating the development of novel therapeutics against multidrug-resistant pathogens. In this study, ten (10) hybrid imine-benzalacetophenone derivatives (7a-7j), incorporating pyrid...

Machine Learning Guided by Physicochemical Principles Enables Generalized Prediction of Small-Molecule Subcellular Localization and Discovery of Targeted Molecules.

Analytical chemistry
Precise subcellular localization is crucial for the design of molecular probes and targeted therapeutics, yet selectively distinguishing organelles with similar physicochemical properties, such as lipid droplets, mitochondria, and the cell membrane, ...

Biomacromolecular engineering of redox-active chitosan-polypyrrole-clay hybrid materials for machine learning-assisted desulfurization and supercapacitor application.

International journal of biological macromolecules
The bentonite chitosan polypyrrole (Bent-CS-PPy) composite was engineered as a multifunctional material with dual capabilities: the efficient adsorption of dibenzothiophene (DBT) from model fuel and application as an electrode in electrochemical ener...

Building Uniformly Structured Polymer Memristors via a 2D Conjugation Strategy for Neuromorphic Computing.

Macromolecular rapid communications
Polymer memristors represent a highly promising avenue for the advancement of next-generation computing systems. However, the intrinsic structural heterogeneity characteristic of most polymers often results in organic polymer memristors displaying er...

Integrated support vector machine and pharmacophore based virtual screening driven identification of thiophene carboxamide scaffold containing compound as potential PARP1 inhibitor.

Journal of biomolecular structure & dynamics
Poly (ADP-ribose) polymerase-1 (PARP1) inhibition strategy for cancer treatment is gaining advantage particularly in patients having a mutation in BRCA1/BRCA2 gene. To date, four drugs have obtained FDA approval and some inhibitors are in clinical tr...

The application of artificial neural networks and support vector regression for simultaneous spectrophotometric determination of commercial eye drop contents.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
In the present study, artificial neural networks (ANNs) and support vector regression (SVR) as intelligent methods coupled with UV spectroscopy for simultaneous quantitative determination of Dorzolamide (DOR) and Timolol (TIM) in eye drop. Several sy...

Magnetic nanoparticles coated with poly(p-phenylenediamine-co-thiophene) as a sorbent for preconcentration of organophosphorus pesticides.

Mikrochimica acta
The authors describe the preparation of FeO nanoparticles coated with poly(p-phenylenediamine-co-thiophene). The resulting nanoparticles (NPs) are shown to be viable sorbents for use in magnetic solid-phase extraction (MSPE) of organophosphorus pesti...

Neuromorphic device architectures with global connectivity through electrolyte gating.

Nature communications
Information processing in the brain takes place in a network of neurons that are connected with each other by an immense number of synapses. At the same time, neurons are immersed in a common electrochemical environment, and global parameters such as...

HPLC-UV method for simultaneous determination of MK-1775 and AZD-7762 in both acetonitrile-aqueous solution and mouse plasma.

Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
A sensitive and precise method is described for the simultaneous determination of two small molecule kinase inhibitors: MK-1775 (MK) and AZD-7762 (AZD), in acetonitrile (ACN)-aqueous solution and in mouse plasma. A Nova-Pak C18 reversed phase column ...

The preparation and physicochemical characterization of eprosartan mesylate-laden polymeric ternary solid dispersions for enhanced solubility and dissolution rate of the drug.

Polimery w medycynie
BACKGROUND: Eprosartan mesylate is a poorly water-soluble drug. It does not dissolve well in the aqueous gastrointestinal fluid, which means it is not absorbed well via the oral route, because a drug can cross cell membranes when it is dissolved in t...