AI Medical Compendium Topic

Explore the latest research on artificial intelligence and machine learning in medicine.

Cell Membrane Permeability

Showing 1 to 10 of 17 articles

Clear Filters

Modelling of intrinsic membrane permeability of drug molecules by explainable ML-based q-RASPR approach towards better pharmacokinetics and toxicokinetics properties.

SAR and QSAR in environmental research
Drug discovery's success lies in potent inhibition against a target and optimum pharmacokinetic and toxicokinetic properties of drug molecules. Membrane permeability is a crucial factor in determining the absorption, distribution, metabolism, and exc...

Seeking Correlation Among Porin Permeabilities and Minimum Inhibitory Concentrations Through Machine Learning: A Promising Route to the Essential Molecular Descriptors.

Molecules (Basel, Switzerland)
Developing effective antibiotics against Gram-negative bacteria remains challenging due to their protective outer membrane. With this study, we investigated the relationship between antibiotic permeation through the OmpF porin of and antimicrobial e...

Multi_CycGT: A Deep Learning-Based Multimodal Model for Predicting the Membrane Permeability of Cyclic Peptides.

Journal of medicinal chemistry
Cyclic peptides are gaining attention for their strong binding affinity, low toxicity, and ability to target "undruggable" proteins; however, their therapeutic potential against intracellular targets is constrained by their limited membrane permeabil...

Combining SILCS and Artificial Intelligence for High-Throughput Prediction of the Passive Permeability of Drug Molecules.

Journal of chemical information and modeling
Membrane permeability of drug molecules plays a significant role in the development of new therapeutic agents. Accordingly, methods to predict the passive permeability of drug candidates during a medicinal chemistry campaign offer the potential to ac...

Antibacterial activity and its mechanisms of a recombinant Funme peptide against Cronobacter sakazakii in powdered infant formula.

Food research international (Ottawa, Ont.)
Cronobacter sakazakii (Cs) is a typical foodborne bacterium that infect powdered infant formula (PIF) worldwide. In this study, a recombinant antimicrobial peptide, branded as Funme peptide (FP)was applied to protect PIF from Cs contamination. The re...

Ultrasound-assisted d-tartaric acid whole-cell bioconversion by recombinant Escherichia coli.

Ultrasonics sonochemistry
d-Tartaric acid has wide range of application in the pharmaceutical industry and scarcely exists in nature. In this study, cis-epoxysuccinate hydrolase (CESH)-containing Escherichia coli was used to perform whole-cell bioconversion of cis-epoxysuccin...

Effect of pseudolaric acid B on biochemical and physiologic characteristics in Colletotrichum gloeosporioides.

Pesticide biochemistry and physiology
In our previous study on natural products with fungicidal activity, pseudolaric acid B (PAB) isolated from Pseudolarix amabilis was examined to inhibit significantly mango anthracnose (Colletotrichum gloeosporioides) in vivo and in vitro. In the curr...

Antifungal properties and biocompatibility of silver nanoparticle coatings on silicone maxillofacial prostheses in vitro.

Journal of biomedical materials research. Part B, Applied biomaterials
Patients with facial prostheses suffer from yeast, Candida albicans, infections. This study aimed to determine the biocompatibility and antifungal properties of silicone facial prostheses coated with silver nanoparticles (Ag NPs) in vitro. Medical gr...

Mechanisms of inactivation of Candida humilis and Saccharomyces cerevisiae by pulsed electric fields.

Bioelectrochemistry (Amsterdam, Netherlands)
AIMS: This study aimed to determine how electric field strength, pulse width and shape, and specific energy input relate to the effect of pulsed electric fields (PEF) on viability and membrane permeabilization in Candida humilis and Saccharomyces cer...

MuCoCP: a priori chemical knowledge-based multimodal contrastive learning pre-trained neural network for the prediction of cyclic peptide membrane penetration ability.

Bioinformatics (Oxford, England)
MOTIVATION: There has been a burgeoning interest in cyclic peptide therapeutics due to their various outstanding advantages and strong potential for drug formation. However, it is undoubtedly costly and inefficient to use traditional wet lab methods ...