Past, present, and future perspectives on computer-aided drug design methodologies

D Bassani, S Moro - Molecules, 2023 - mdpi.com
The application of computational approaches in drug discovery has been consolidated in
the last decades. These families of techniques are usually grouped under the common …

Artificial intelligence revolutionizing drug development: Exploring opportunities and challenges

PC Tiwari, R Pal, MJ Chaudhary… - Drug Development …, 2023 - Wiley Online Library
By harnessing artificial intelligence (AI) algorithms and machine learning techniques, the
entire drug discovery process stands to undergo a profound transformation, offering a …

Artificial intelligence enabled ChatGPT and large language models in drug target discovery, drug discovery, and development

C Chakraborty, M Bhattacharya, SS Lee - Molecular Therapy-Nucleic Acids, 2023 - cell.com
Drug discovery has been revolutionized recently by different computational approaches like
artificial intelligence (AI), deep learning (DL), and quantum mechanical methods. Drug …

Recent developments in ultralarge and structure-based virtual screening approaches

C Gorgulla - Annual Review of Biomedical Data Science, 2023 - annualreviews.org
Drug development is a wide scientific field that faces many challenges these days. Among
them are extremely high development costs, long development times, and a small number of …

[HTML][HTML] Quantum mechanical-based strategies in drug discovery: Finding the pace to new challenges in drug design

T Ginex, J Vázquez, C Estarellas, FJ Luque - Current Opinion in Structural …, 2024 - Elsevier
The expansion of the chemical space to tangible libraries containing billions of
synthesizable molecules opens exciting opportunities for drug discovery, but also …

Integrating artificial intelligence into the modernization of traditional Chinese medicine industry: a review

E Zhou, Q Shen, Y Hou - Frontiers in Pharmacology, 2024 - frontiersin.org
Traditional Chinese medicine (TCM) is the practical experience and summary of the
Chinese nation for thousands of years. It shows great potential in treating various chronic …

Machine Learning Advances in Predicting Peptide/Protein‐Protein Interactions Based on Sequence Information for Lead Peptides Discovery

J Ye, A Li, H Zheng, B Yang, Y Lu - Advanced Biology, 2023 - Wiley Online Library
Peptides have shown increasing advantages and significant clinical value in drug discovery
and development. With the development of high‐throughput technologies and artificial …

Recent Advances in Quantum Computing for Drug Discovery and Development

G Kumar, S Yadav, A Mukherjee, V Hassija… - IEEE …, 2024 - ieeexplore.ieee.org
Preserving human health is of utmost importance, and unrestricted availability of
medications is essential for overall wellness. Pharmaceuticals, which consist of a wide …

Protein engineering for natural product biosynthesis: expanding diversity for therapeutic applications

SO Otun, JA Lerma-Escalera, K Ntushelo… - Journal of Bio-X …, 2023 - spj.science.org
In this dispensation of the fourth industrial revolution, protein engineering has become a
popular approach for increasing enzymatic activity, stability, and titer in the biosynthesis of …

Protein aggregation and therapeutic strategies in SOD1-and TDP-43-linked ALS

M Tsekrekou, M Giannakou… - Frontiers in Molecular …, 2024 - frontiersin.org
Amyotrophic lateral sclerosis (ALS) is a fatal neurodegenerative disease with severe socio-
economic impact. A hallmark of ALS pathology is the presence of aberrant cytoplasmic …