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Aromatic clusters in protein-protein and protein-drug complexes
(BioMed Central, 2020-05)
Aromatic rings are important residues for biological interactions and appear to a large extent as part of protein-drug and protein-protein interactions. They are relevant for both protein stability and molecular recognition ...
Computational prediction of protein-protein interactions in Leishmania predicted proteomes
(Public Library of Science, 2014)
Drug Target Interaction Prediction Using Machine Learning Techniques – A Review
Drug discovery is a key process, given the rising and ubiquitous demand for medication to stay in good shape right through the course of one’s life. Drugs are small molecules that inhibit or activate the function of a ...
Exploring Protein-Protein Interactions as Drug Targets for Anti-cancer Therapy with In Silico Workflows
(Humana Press, 2017)
We describe a computational protocol to aid the design of small molecule and peptide drugs that target protein-protein interactions, particularly for anti-cancer therapy. To achieve this goal, we explore multiple strategies, ...
Network pharmacology reveals multitarget mechanism of action of drugs to be repurposed for COVID-19
(Frontiers Media S.A., 2024)
Neutrophil-Derived MMP-8 Drives AMPK-Dependent Matrix Destruction in Human Pulmonary Tuberculosis
(Public Library of Science, 2015)
Pulmonary cavities, the hallmark of tuberculosis (TB), are characterized by high mycobacterial load and perpetuate the spread of M. tuberculosis. The mechanism of matrix destruction resulting in cavitation is not well ...
Regulation of Connexin-based channels by fatty acids
(Frontiers Research Foundation, 2017)
Interaction of Bacillus thuringiensis Cry1 and Vip3A proteins with Spodoptera frugiperda midgut binding sites
(2009-04-01)
Vip3Aa, Vip3Af, Cry1Ab, and Cry1Fa were tested for their toxicities and binding interactions. Vip3A proteins were more toxic than Cry1 proteins. Binding assays showed independent specific binding sites for Cry1 and Vip3A ...