Recent applications of deep learning and machine intelligence on in silico drug discovery: methods, tools and databases

AS Rifaioglu, H Atas, MJ Martin… - Briefings in …, 2019 - academic.oup.com
The identification of interactions between drugs/compounds and their targets is crucial for
the development of new drugs. In vitro screening experiments (ie bioassays) are frequently …

Deep learning tools for advancing drug discovery and development

S Nag, ATK Baidya, A Mandal, AT Mathew, B Das… - 3 Biotech, 2022 - Springer
A few decades ago, drug discovery and development were limited to a bunch of medicinal
chemists working in a lab with enormous amount of testing, validations, and synthetic …

How to approach machine learning-based prediction of drug/compound–target interactions

H Atas Guvenilir, T Doğan - Journal of Cheminformatics, 2023 - Springer
The identification of drug/compound–target interactions (DTIs) constitutes the basis of drug
discovery, for which computational predictive approaches have been developed. As a …

Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects

I Cortés-Ciriano, QU Ain, V Subramanian… - …, 2015 - pubs.rsc.org
Proteochemometric (PCM) modelling is a computational method to model the bioactivity of
multiple ligands against multiple related protein targets simultaneously. Hence it has been …

Emerging promise of computational techniques in anti-cancer research: at a glance

MM Rahman, MR Islam, F Rahman, MS Rahaman… - Bioengineering, 2022 - mdpi.com
Research on the immune system and cancer has led to the development of new medicines
that enable the former to attack cancer cells. Drugs that specifically target and destroy …

Potassium channels: structures, diseases, and modulators

C Tian, R Zhu, L Zhu, T Qiu, Z Cao… - Chemical biology & drug …, 2014 - Wiley Online Library
Potassium channels participate in many critical biological functions and play important roles
in a variety of diseases. In recent years, many significant discoveries have been made which …

Histone deacetylase (HDAC) inhibitory and antiproliferative activities of phenolic-rich extracts derived from the rhizome of Hydnophytum formicarum Jack.: sinapinic …

T Senawong, S Misuna, S Khaopha… - … and Alternative Medicine, 2013 - Springer
Abstract Background The rhizome of Hydnophytum formicarum Jack., a medicinal plant
known in Thai as Hua-Roi-Roo, has been used in Thai traditional herbal medicine for …

A phase II trial of valproic acid in patients with advanced, radioiodine‐resistant thyroid cancers of follicular cell origin

N Nilubol, R Merkel, L Yang, D Patel… - Clinical …, 2017 - Wiley Online Library
Objective Valproic acid (VA) is a histone deacetylase (HDAC) inhibitor that has
antiproliferative effects on several types of cancer, including thyroid cancer. In addition, VA …

The current role of targeted therapies to induce radioiodine uptake in thyroid cancer

E Fröhlich, R Wahl - Cancer treatment reviews, 2014 - Elsevier
Targeted therapy pinpointing specific alteration in cancer cells has gained an important role
in the treatment of cancer. Compounds that re-induce thyroid-specific functions could be …

Expediting the design, discovery and development of anticancer drugs using computational approaches

S Basith, M Cui, SJY Macalino… - Current medicinal …, 2017 - ingentaconnect.com
Cancer is considered as one of the world's leading causes of morbidity and mortality. Over
the past four decades, spectacular advances in molecular and cellular biology have led to …