DrugCentral 2021 supports drug discovery and repositioning

S Avram, CG Bologa, J Holmes, G Bocci… - Nucleic acids …, 2021 - academic.oup.com
DrugCentral is a public resource (http://drugcentral. org) that serves the scientific community
by providing up-to-date drug information, as described in previous papers. The current …

DrugCentral 2023 extends human clinical data and integrates veterinary drugs

S Avram, TB Wilson, R Curpan, L Halip… - Nucleic acids …, 2023 - academic.oup.com
DrugCentral monitors new drug approvals and standardizes drug information. The current
update contains 285 drugs (131 for human use). New additions include:(i) the integration of …

Overcoming antibiotic resistance: the potential and pitfalls of drug repurposing

M Abavisani, A Khoshrou, S Eshaghian… - Journal of Drug …, 2024 - Taylor & Francis
Since its emergence shortly after the discovery of penicillin, antibiotic resistance has
escalated dramatically, posing a significant health threat and economic burden. Drug …

[HTML][HTML] Overview of the knowledge management center for illuminating the druggable genome

TI Oprea, C Bologa, J Holmes, S Mathias… - Drug Discovery …, 2024 - Elsevier
The Knowledge Management Center (KMC) for the Illuminating the Druggable Genome
(IDG) project aims to aggregate, update, and articulate protein-centric data knowledge for …

Molecular Complexity: You Know It When You See It

TI Oprea, C Bologa - Journal of Medicinal Chemistry, 2023 - ACS Publications
Molecular complexity (MC) lacks a universal definition, but various studies address it in
contexts ranging from ligand–receptor interactions to DNA sequencing, with the overarching …

SiSGC: A Drug Repositioning Prediction Model Based on Heterogeneous Simplifying Graph Convolution

ZH Ren, CQ Yu, LP Li, ZH You, ZW Li… - Journal of Chemical …, 2023 - ACS Publications
Drug repositioning plays a key role in disease treatment. With the large-scale chemical data
increasing, many computational methods are utilized for drug–disease association …

COVID19-computational chemists meet the moment

AJ Mulholland, RE Amaro - Journal of Chemical Information and …, 2020 - ACS Publications
As part of this response, since early 2020, numerous computational chemists and
biophysicists have pivoted their efforts to try to gain insight into the inner workings and …

Getting started with the IDG KMC datasets and tools

E Kropiwnicki, JL Binder, JJ Yang, J Holmes… - Current …, 2022 - Wiley Online Library
Abstract The Illuminating the Druggable Genome (IDG) consortium is a National Institutes of
Health (NIH) Common Fund program designed to enhance our knowledge of under‐studied …

Exploring DrugCentral: from molecular structures to clinical effects

L Halip, S Avram, R Curpan, A Borota, A Bora… - Journal of Computer …, 2023 - Springer
Abstract DrugCentral, accessible at https://drugcentral. org, is an open-access online drug
information repository. It covers over 4950 drugs, incorporating structural, physicochemical …

Global barriers to accessing off-patent endocrine therapies: a renaissance of the orphan disease?

NL de Silva, H Dissanayake, S Kalra… - The Journal of …, 2024 - academic.oup.com
Context Clinical endocrinology encompasses many diseases requiring long-term drug
therapy. Prohibitive pricing of some endocrine drugs classified as essential by the World …