AIMC Topic: Peptidomimetics

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Deep learning in the discovery of antiviral peptides and peptidomimetics: databases and prediction tools.

Molecular diversity Mar 28, 2025
Antiviral peptides (AVPs) represent a novel and promising therapeutic alternative to conventional antiviral treatments, due to their broad-spectrum activity, high specificity, and low toxicity. The emergence of zoonotic viruses such as Zika, Ebola, a...
Humans COVID-19 Databases, Factual SARS-CoV-2 Animals Peptides Drug Discovery Deep Learning Antiviral Agents Peptidomimetics
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Perturbation Theory/Machine Learning Model of ChEMBL Data for Dopamine Targets: Docking, Synthesis, and Assay of New l-Prolyl-l-leucyl-glycinamide Peptidomimetics.

ACS chemical neuroscience Jun 25, 2018
Predicting drug-protein interactions (DPIs) for target proteins involved in dopamine pathways is a very important goal in medicinal chemistry. We can tackle this problem using Molecular Docking or Machine Learning (ML) models for one specific protein...
Humans Neural Networks, Computer Machine Learning Software Molecular Docking Simulation Deep Learning Models, Molecular Nonlinear Dynamics Databases, Chemical Dopamine Peptidomimetics Receptors, Dopamine D2 Allosteric Regulation MSH Release-Inhibiting Hormone
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Design and synthesis of cell selective α/β-diastereomeric peptidomimetic with potent in vivo antibacterial activity against methicillin resistant S. Aureus.

Bioorganic chemistry Dec 26, 2017
Design of therapeutically viable antimicrobial peptides with cell selectivity against microorganisms is an important step towards the development of new antimicrobial agents. Here, we report four de novo designed, short amphipathic sequences based on...
Humans Anti-Bacterial Agents Female Animals Microbial Sensitivity Tests Escherichia coli Methicillin-Resistant Staphylococcus aureus Mice, Inbred BALB C Amino Acid Sequence Pseudomonas aeruginosa Keratinocytes Enterococcus faecalis Phosphatidylcholines Erythrocytes Acinetobacter baumannii Hemolysis Lipid Bilayers Peptidomimetics Phosphatidylglycerols Stereoisomerism
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