Generative artificial intelligence for small molecule drug design

GC Kanakala, S Devata, P Chatterjee… - Current Opinion in …, 2024 - Elsevier
Highlights•Brief history and background of Generative AI (GenAI).•Applications of GenAI in
drug design.•Representations of molecules in GenAI.•Importance of databases in …

[HTML][HTML] The artificial intelligence-driven pharmaceutical industry: a paradigm shift in drug discovery, formulation development, manufacturing, quality control, and post …

K Huanbutta, K Burapapadh, P Kraisit… - European Journal of …, 2024 - Elsevier
The advent of artificial intelligence (AI) has catalyzed a profound transformation in the
pharmaceutical industry, ushering in a paradigm shift across various domains, including …

The 2022 Nucleic Acids Research database issue and the online molecular biology database collection

DJ Rigden, XM Fernández - Nucleic acids research, 2022 - academic.oup.com
Abstract The 2022 Nucleic Acids Research Database Issue contains 185 papers, including
87 papers reporting on new databases and 85 updates from resources previously published …

Atlas of the plasma proteome in health and disease in 53,026 adults

YT Deng, J You, Y He, Y Zhang, HY Li, XR Wu… - Cell, 2025 - cell.com
Large-scale proteomics studies can refine our understanding of health and disease and
enable precision medicine. Here, we provide a detailed atlas of 2,920 plasma proteins …

GPCRdb in 2025: adding odorant receptors, data mapper, structure similarity search and models of physiological ligand complexes

LPT Herrera, SN Andreassen, J Caroli… - Nucleic Acids …, 2025 - academic.oup.com
G protein-coupled receptors (GPCRs) are membrane-spanning transducers mediating the
actions of numerous physiological ligands and drugs. The GPCR database GPCRdb …

Exploring the Chemical space of the exposome: how far have we gone?

S Samanipour, LP Barron, D van Herwerden… - JACS Au, 2024 - ACS Publications
Around two-thirds of chronic human disease can not be explained by genetics alone. The
Lancet Commission on Pollution and Health estimates that 16% of global premature deaths …

[HTML][HTML] Transforming clinical research: the power of high-throughput omics integration

R Vitorino - Proteomes, 2024 - mdpi.com
High-throughput omics technologies have dramatically changed biological research,
providing unprecedented insights into the complexity of living systems. This review presents …

How drug repurposing can advance drug discovery: challenges and opportunities

L Pinzi, N Bisi, G Rastelli - Frontiers in Drug Discovery, 2024 - frontiersin.org
Traditional de novo drug discovery, which typically presents an 11% approval rate from
phase I trials and even higher failure rates in fields like neurodegeneration, often requires …

The role of nitric oxide synthase/nitric oxide in infection-related cancers: beyond antimicrobial activity

X Hu, Y Li, Y Cao, F Shi, L Shang - … et Biophysica Acta (BBA)-Reviews on …, 2024 - Elsevier
As a free radical and endogenous effector molecule, mammalian endogenous nitric oxide
(NO) is mainly derived from nitric oxide synthase (NOS) via L-arginine. NO participates in …

Unlocking the therapeutic potential of locked nucleic acids through lipid nanoparticle delivery

S Qassem, D Breier, GS Naidu, I Hazan-Halevy… - … Therapy-Nucleic Acids, 2024 - cell.com
Locked nucleic acids (LNAs) are a subtype of antisense oligonucleotides (ASOs) that are
characterized by a bridge within the sugar moiety. LNAs owe their robustness to this …