The changing scenario of drug discovery using AI to deep learning: Recent advancement, success stories, collaborations, and challenges
Due to the transformation of artificial intelligence (AI) tools and technologies, AI-driven drug
discovery has come to the forefront. It reduces the time and expenditure. Due to these …
discovery has come to the forefront. It reduces the time and expenditure. Due to these …
The changing scenario of drug discovery using artificial intelligence (AI) to deep learning (DL): Recent advancement, success stories, collaborations, and challenges
C Chakraborty, M Bhattacharya, SS Lee… - … Therapy-Nucleic Acids, 2024 - cell.com
Due to the transformation of artificial intelligence (AI) tools and technologies, AI-driven drug
discovery has come to the forefront. It reduces the time and expenditure. Due to these …
discovery has come to the forefront. It reduces the time and expenditure. Due to these …
Predicting Peptide Permeability Across Diverse Barriers: A Systematic Investigation
X Tan, Q Liu, Y Fang, Y Zhu, F Chen… - Molecular …, 2024 - ACS Publications
Peptide-based therapeutics hold immense promise for the treatment of various diseases.
However, their effectiveness is often hampered by poor cell membrane permeability …
However, their effectiveness is often hampered by poor cell membrane permeability …
AI-driven precision subcellular navigation with fluorescent probes
Y Zhu, Y Fang, W Huang, W Zhang, F Chen… - Journal of Materials …, 2024 - pubs.rsc.org
Precise navigation within intricate biological systems is pivotal for comprehending cellular
functions and diagnosing diseases. Fluorescent molecular probes, designed to target …
functions and diagnosing diseases. Fluorescent molecular probes, designed to target …
Optimization of SHP2 allosteric inhibitors with novel tail heterocycles and their potential as antitumor therapeutics
C Zhu, L Li, Y Yu, X Wang, Y Shi, Y Gao, K Chen… - European Journal of …, 2025 - Elsevier
SHP2, a non-receptor protein tyrosine phosphatase involved in cancers, plays a pivotal role
in numerous cellular signaling cascades, including the MAPK and PD-L1/PD-1 pathways …
in numerous cellular signaling cascades, including the MAPK and PD-L1/PD-1 pathways …
A scientific data-driven review of natural product genipin for disease therapy
D Xu, T Qiao, K Gao, MN Zhao, W Zhang, XR Tao… - Phytochemistry …, 2025 - Springer
Genipin, a natural blue pigment and bioactive compound derived from the fruit of Gardenia
jasminoides Ellis., has long been used in traditional Chinese medicine to prevent and treat …
jasminoides Ellis., has long been used in traditional Chinese medicine to prevent and treat …
AttenhERG: a reliable and interpretable graph neural network framework for predicting hERG channel blockers
Cardiotoxicity, particularly drug-induced arrhythmias, poses a significant challenge in drug
development, highlighting the importance of early-stage prediction of human ether-a-go-go …
development, highlighting the importance of early-stage prediction of human ether-a-go-go …
Artificial intelligence for small molecule anticancer drug discovery
Introduction The transition from conventional cytotoxic chemotherapy to targeted cancer
therapy with small-molecule anticancer drugs has enhanced treatment outcomes. This …
therapy with small-molecule anticancer drugs has enhanced treatment outcomes. This …
Multimodal Fusion-Based Lightweight Model for Enhanced Generalization in Drug–Target Interaction Prediction
Predicting drug–target interactions (DTIs) with precision is a crucial challenge in the quest
for efficient and cost-effective drug discovery. Existing DTI prediction models often require …
for efficient and cost-effective drug discovery. Existing DTI prediction models often require …
Proteomic Learning of Gamma-Aminobutyric Acid (GABA) Receptor-Mediated Anesthesia
Anesthetics are crucial in surgical procedures and therapeutic interventions, but they come
with side effects and varying levels of effectiveness, calling for novel anesthetic agents that …
with side effects and varying levels of effectiveness, calling for novel anesthetic agents that …