Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations
The de novo design of antimicrobial therapeutics involves the exploration of a vast chemical
repertoire to find compounds with broad-spectrum potency and low toxicity. Here, we report …
repertoire to find compounds with broad-spectrum potency and low toxicity. Here, we report …
Molecular dynamics for antimicrobial peptide discovery
Although antimicrobial resistance is an increasingly significant public health concern, there
have only been two new classes of antibiotics approved for human use since the 1960s …
have only been two new classes of antibiotics approved for human use since the 1960s …
Unraveling lipid and inflammation interplay in cancer, aging and infection for novel theranostic approaches
D Conde-Torres, A Blanco-González… - Frontiers in …, 2024 - frontiersin.org
The synergistic relationships between Cancer, Aging, and Infection, here referred to as the
CAIn Triangle, are significant determinants in numerous health maladies and mortality rates …
CAIn Triangle, are significant determinants in numerous health maladies and mortality rates …
Purification of Bioactive Peptide with Antimicrobial Properties Produced by Saccharomyces cerevisiae
S Thyab Gddoa Al-sahlany, AB Altemimi… - Foods, 2020 - mdpi.com
A variety of organisms produce bioactive peptides that express inhibition activity against
other organisms. Saccharomyces cerevisiae is considered the best example of a unicellular …
other organisms. Saccharomyces cerevisiae is considered the best example of a unicellular …
Redefining the concept of hydration water near soft interfaces
Water determines the properties of biological systems. Therefore, understanding the nature
of the mutual interaction between water and biosystems is of primary importance for a proper …
of the mutual interaction between water and biosystems is of primary importance for a proper …
Cardiolipin prevents pore formation in phosphatidylglycerol bacterial membrane models
Several antimicrobial peptides, including magainin and the human cathelicidin LL‐37, act by
forming pores in bacterial membranes. Bacteria such as Staphylococcus aureus modify their …
forming pores in bacterial membranes. Bacteria such as Staphylococcus aureus modify their …
Antifouling performance and mechanism analysis of marine peptide modified aluminum alloy surface
T Lou, X Bai, X He, W Liu, Y Yang, C Yuan - Surface and Coatings …, 2022 - Elsevier
Biofouling, the settlement of nuisance fouling organisms on underwater surfaces, seriously
affects the performance of the ship and the development of the maritime industry. Using …
affects the performance of the ship and the development of the maritime industry. Using …
Redispersion mechanisms of 2D nanosheets: combined role of intersheet contact and surface chemistry
Redispersion behavior recovers the important features of nanomaterials and thus holds
great promise for exciting applications of nanomaterials in different fields. In contrast to the …
great promise for exciting applications of nanomaterials in different fields. In contrast to the …
Small molecules enhance the potency of natural antimicrobial peptides
V Losasso, K Agarwal, M Waskar, A Majumdar… - Biophysical …, 2022 - cell.com
The skin-associated microbiome plays an important role in general well-being and in a
variety of treatable skin conditions. In this regard, endogenous antimicrobial peptides have …
variety of treatable skin conditions. In this regard, endogenous antimicrobial peptides have …
Accelerating antimicrobial discovery with controllable deep generative models and molecular dynamics
De novo therapeutic design is challenged by a vast chemical repertoire and multiple
constraints, eg, high broad-spectrum potency and low toxicity. We propose CLaSS …
constraints, eg, high broad-spectrum potency and low toxicity. We propose CLaSS …