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Augmented drug combination dataset to improve the performance of machine learning models predicting synergistic anticancer effects
Combination therapy has gained popularity in cancer treatment as it enhances the treatment efficacy and overcomes drug resistance. Although machine...
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Machine learning-driven multifunctional peptide engineering for sustained ocular drug delivery
Sustained drug delivery strategies have many potential benefits for treating a range of diseases, particularly chronic diseases that require...
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Assessing biologic/toxicologic effects of extractables from plastic contact materials for advanced therapy manufacturing using cell painting assay and cytotoxicity screening
Plastic components are essential in the pharmaceutical industry, encompassing container closure systems, laboratory handling equipment, and...
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A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers
Serial crystallography at X-ray free-electron lasers (XFELs) permits the determination of radiation-damage free static as well as time-resolved...
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Utilizing Ni(II) complex for metal drug-gel particles in cervical cancer treatment and designing novel drugs through machine learning methods
In the present study, a novel coordination polymer (CP) based on Ni(II), namely, [Ni(L)(D-CAM)(H 2 O)] n ( 1 ) (H 2 D-CAM = (1 R ,3 S )-1,2,2-trimethylcyclopenta...
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Quantifying drug tissue biodistribution by integrating high content screening with deep-learning analysis
Quantitatively determining in vivo achievable drug concentrations in targeted organs of animal models and subsequent target engagement confirmation...
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Drug target prediction through deep learning functional representation of gene signatures
Many machine learning applications in bioinformatics currently rely on matching gene identities when analyzing input gene signatures and fail to take...
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Targeting the receptor binding domain and heparan sulfate binding for antiviral drug development against SARS-CoV-2 variants
The emergence of SARS-CoV-2 variants diminished the efficacy of current antiviral drugs and vaccines. Hence, identifying highly conserved sequences...
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A combined microfluidic deep learning approach for lung cancer cell high throughput screening toward automatic cancer screening applications
Lung cancer is a leading cause of cancer death in both men and women worldwide. The high mortality rate in lung cancer is in part due to late-stage...
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Design and structural validation of peptide–drug conjugate ligands of the kappa-opioid receptor
Despite the increasing number of GPCR structures and recent advances in peptide design, the development of efficient technologies allowing rational...
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Pharmacological evaluation and phytochemical profiling of butanol extract of L. edodes with in- silico virtual screening
L. edodes ( L. edodes ) is the most consumed mushroom in the world and has been well known for its therapeutic potential as an edible and medicinal...
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Geospatial analysis of reported activity locations to identify sites for tuberculosis screening
Mobile screening units can help close tuberculosis case detection gaps. Placing screening units where people at high risk for undiagnosed...
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Nanobodies targeting ABCC3 for immunotargeted applications in glioblastoma
The cancer “omics” reveal many clinically relevant alterations that are transforming the molecular characterization of glioblastomas. However, many...
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Multiwell Raman plate reader for high-throughput biochemical screening
Although Raman spectroscopy has been used for the quantitative analysis of samples in many fields, including material science, biomedical, and...
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Drug repositioning in non-small cell lung cancer (NSCLC) using gene co-expression and drug–gene interaction networks analysis
Lung cancer is the most common cancer in men and women. This cancer is divided into two main types, namely non-small cell lung cancer (NSCLC) and...
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SHIELD: a platform for high-throughput screening of barrier-type DNA elements in human cells
Chromatin boundary elements contribute to the partitioning of mammalian genomes into topological domains to regulate gene expression. Certain...
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Characterization of fluorescent probe substrates to develop an efficient high-throughput assay for neonatal hepatic CYP3A7 inhibition screening
CYP3A7 is a member of the cytochrome P450 (CYP) 3A enzyme sub-family that is expressed in the fetus and neonate. In addition to its role metabolizing...
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Polysaccharide hydrogel based 3D printed tumor models for chemotherapeutic drug screening
A series of stable and ready-to-use bioinks have been developed based on the xeno-free and tunable hydrogel (VitroGel) system. Cell laden scaffold...
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Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules
We here introduce the Aquamarine (AQM) dataset, an extensive quantum-mechanical (QM) dataset that contains the structural and electronic information...
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Multi-step screening of DNA/lipid nanoparticles and co-delivery with siRNA to enhance and prolong gene expression
Lipid nanoparticles hold great potential as an effective non-viral vector for nucleic acid-based gene therapy. Plasmid DNA delivery can result in...
