Opportunities and challenges in application of artificial intelligence in pharmacology
Artificial intelligence (AI) is a machine science that can mimic human behaviour like
intelligent analysis of data. AI functions with specialized algorithms and integrates with deep …
intelligent analysis of data. AI functions with specialized algorithms and integrates with deep …
Identification of novel leads as potent inhibitors of HDAC3 using ligand-based pharmacophore modeling and MD simulation
In the landscape of epigenetic regulation, histone deacetylase 3 (HDAC3) has emerged as a
prominent therapeutic target for the design and development of candidate drugs against …
prominent therapeutic target for the design and development of candidate drugs against …
Stack-HDAC3i: A high-precision identification of HDAC3 inhibitors by exploiting a stacked ensemble-learning framework
Epigenetics involves reversible modifications in gene expression without altering the genetic
code itself. Among these modifications, histone deacetylases (HDACs) play a key role by …
code itself. Among these modifications, histone deacetylases (HDACs) play a key role by …
HDAC3 inhibitors: a patent review of their broad-spectrum applications as therapeutic agents
ABSTRACT Introduction Histone deacetylases (HDACs) are a class of zinc-dependent
enzymes. They maintain acetylation homeostasis, with numerous biological functions and …
enzymes. They maintain acetylation homeostasis, with numerous biological functions and …
Machine learning enables accurate and rapid prediction of active molecules against breast cancer cells
Breast cancer (BC) has surpassed lung cancer as the most frequently occurring cancer, and
it is the leading cause of cancer-related death in women. Therefore, there is an urgent need …
it is the leading cause of cancer-related death in women. Therefore, there is an urgent need …
Epigenetic target fishing with accurate machine learning models
Epigenetic targets are of significant importance in drug discovery research, as demonstrated
by the eight approved epigenetic drugs for treatment of cancer and the increasing …
by the eight approved epigenetic drugs for treatment of cancer and the increasing …
A machine learning-integrated stepwise method to discover novel anti-obesity phytochemicals that antagonize the glucocorticoid receptor
SH Shin, G Hur, NR Kim, JHY Park, KW Lee… - Food & Function, 2023 - pubs.rsc.org
As a type of stress hormone, glucocorticoids (GCs) affect numerous physiological pathways
by binding to the glucocorticoid receptor (GR) and regulating the transcription of various …
by binding to the glucocorticoid receptor (GR) and regulating the transcription of various …
Chemoinformatics and machine learning approaches for identifying antiviral compounds
Current pandemics propelled research efforts in unprecedented fashion, primarily triggering
computational efforts towards new vaccine and drug development as well as drug …
computational efforts towards new vaccine and drug development as well as drug …
Large-scale comparison of machine learning methods for profiling prediction of kinase inhibitors
Conventional machine learning (ML) and deep learning (DL) play a key role in the selectivity
prediction of kinase inhibitors. A number of models based on available datasets can be used …
prediction of kinase inhibitors. A number of models based on available datasets can be used …
HT_PREDICT: a machine learning-based computational open-source tool for screening HDAC6 inhibitors
OV Tinkov, VN Osipov, AV Kolotaev… - SAR and QSAR in …, 2024 - Taylor & Francis
ABSTRACT Histone deacetylase 6 (HDAC6) is a promising drug target for the treatment of
human diseases such as cancer, neurodegenerative diseases (in particular, Alzheimer's …
human diseases such as cancer, neurodegenerative diseases (in particular, Alzheimer's …