Artificial intelligence to deep learning: machine intelligence approach for drug discovery

R Gupta, D Srivastava, M Sahu, S Tiwari, RK Ambasta… - Molecular …, 2021 - Springer
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …

Accelerating antibiotic discovery through artificial intelligence

MCR Melo, JRMA Maasch… - Communications …, 2021 - nature.com
By targeting invasive organisms, antibiotics insert themselves into the ancient struggle of the
host-pathogen evolutionary arms race. As pathogens evolve tactics for evading antibiotics …

Natural product drug discovery in the artificial intelligence era

FI Saldívar-González, VD Aldas-Bulos… - Chemical …, 2022 - pubs.rsc.org
Natural products (NPs) are primarily recognized as privileged structures to interact with
protein drug targets. Their unique characteristics and structural diversity continue to marvel …

Synthetic extracellular matrices with function-encoding peptides

C Ligorio, A Mata - Nature reviews bioengineering, 2023 - nature.com
The communication of cells with their surroundings is mostly encoded in the epitopes of
structural and signalling proteins present in the extracellular matrix (ECM). These peptide …

Toxicity prediction based on artificial intelligence: A multidisciplinary overview

E Pérez Santín, R Rodríguez Solana… - Wiley …, 2021 - Wiley Online Library
The use and production of chemical compounds are subjected to strong legislative pressure.
Chemical toxicity and adverse effects derived from exposure to chemicals are key regulatory …

Optimizing molecules using efficient queries from property evaluations

SC Hoffman, V Chenthamarakshan… - Nature Machine …, 2022 - nature.com
Abstract Machine learning-based methods have shown potential for optimizing existing
molecules with more desirable properties, a critical step towards accelerating new chemical …

Discovering highly potent antimicrobial peptides with deep generative model HydrAMP

P Szymczak, M Możejko, T Grzegorzek… - nature …, 2023 - nature.com
Antimicrobial peptides emerge as compounds that can alleviate the global health hazard of
antimicrobial resistance, prompting a need for novel computational approaches to peptide …

Machine learning assisted rational design of antimicrobial peptides based on human endogenous proteins and their applications for cosmetic preservative system …

L Yue, L Song, S Zhu, X Fu, X Li, C He, J Li - Scientific Reports, 2024 - nature.com
Preservatives are essential components in cosmetic products, but their safety issues have
attracted widespread attention. There is an urgent need for safe and effective alternatives …

Accelerating the discovery and design of antimicrobial peptides with artificial intelligence

MC Aguilera-Puga, NL Cancelarich, MM Marani… - … drug discovery and …, 2023 - Springer
Peptides modulate many processes of human physiology targeting ion channels, protein
receptors, or enzymes. They represent valuable starting points for the development of new …

Synthetic molecular evolution of antimicrobial peptides

CH Chen, T Bepler, K Pepper, D Fu, TK Lu - Current opinion in …, 2022 - Elsevier
Highlights•Various peptide design methods have facilitated peptide–drug
development.•Only a few peptide therapeutics have entered the antibiotic market in the past …