Reshaping the discovery of self-assembling peptides with generative AI guided by hybrid deep learning

M Njirjak, L Žužić, M Babić, P Janković… - Nature machine …, 2024 - nature.com
Supramolecular peptide-based materials have great potential for revolutionizing fields like
nanotechnology and medicine. However, deciphering the intricate sequence-to-assembly …

Rational In Silico Design of Selective TMPRSS6 Peptidomimetic Inhibitors via Exploitation of the S2 Subpocket

M Desgagné, A Désilets, S Ferková… - Journal of Medicinal …, 2024 - ACS Publications
TMPRSS6 is a potential therapeutic target for the treatment of iron overload due to its role in
regulating levels of hepcidin. Although potent TMPRSS6 inhibitors have been previously …

TP-LMMSG: a peptide prediction graph neural network incorporating flexible amino acid property representation

N Chen, J Yu, L Zhe, F Wang, X Li… - Briefings in …, 2024 - academic.oup.com
Bioactive peptide therapeutics has been a long-standing research topic. Notably, the
antimicrobial peptides (AMPs) have been extensively studied for its therapeutic potential …

[HTML][HTML] Synthesis and evaluation of new mono-and binuclear salen complexes for the Cα-alkylation reaction of amino acid substrates as chiral phase transfer …

AM Hovhannisyan, AS Tovmasyan, AF Mkrtchyan… - Molecular …, 2024 - Elsevier
In this study, we present a series of Zn (II) mono-and Cu (II) binuclear salen complexes
synthesized and assessed for their effectiveness in the Cα-alkylation reaction. Through …

Therapeutic proteins: developments, progress, challenges, and future perspectives

V Kumar, A Barwal, N Sharma, DS Mir, P Kumar… - 3 Biotech, 2024 - Springer
Proteins are considered magic molecules due to their enormous applications in the health
sector. Over the past few decades, therapeutic proteins have emerged as a promising …

PepDoRA: A Unified Peptide Language Model via Weight-Decomposed Low-Rank Adaptation

L Wang, R Pulugurta, P Vure, Y Zhang, A Pal… - arXiv preprint arXiv …, 2024 - arxiv.org
Peptide therapeutics, including macrocycles, peptide inhibitors, and bioactive linear
peptides, play a crucial role in therapeutic development due to their unique physicochemical …

Carbon nanotubes functionalized with α-aminoisobutyric acid-containing peptide increase gene delivery efficiency in plant mitochondria

SSY Law, M Kuzumoto, S Fujita, T Fujigaya… - Polymer Journal, 2024 - nature.com
Functionalized carbon nanotubes have shown tremendous promise in the field of plant
biotechnology for genetic engineering and cargo delivery; recent findings have shown that …

[HTML][HTML] ACVPICPred: Inhibitory activity prediction of anti-coronavirus peptides based on artificial neural network

M Li, Y Wu, B Li, C Lu, G Jian, X Shang, H Chen… - Computational and …, 2024 - Elsevier
Peptides, as small molecular compounds, exhibit prominent advantages in the inhibition of
coronaviruses due to their safety, efficacy, and specificity, holding great promise as drugs …

PepINVENT: Generative peptide design beyond the natural amino acids

G Geylan, JP Janet, A Tibo, J He, A Patronov… - arXiv preprint arXiv …, 2024 - arxiv.org
Peptides play a crucial role in the drug design and discovery whether as a therapeutic
modality or a delivery agent. Non-natural amino acids (NNAAs) have been used to enhance …

Transient interactions between the fuzzy coat and the cross-β core of brain-derived Aβ42 filaments

M Milanesi, ZF Brotzakis, M Vendruscolo - bioRxiv, 2024 - biorxiv.org
A wide range of human disorders, including Alzheimer's disease (AD), are characterised by
the aberrant formation of amyloid fibrils. Amyloid fibrils are filamentous structures …