Generative machine learning for de novo drug discovery: A systematic review

DD Martinelli - Computers in Biology and Medicine, 2022 - Elsevier
Recent research on artificial intelligence indicates that machine learning algorithms can
auto-generate novel drug-like molecules. Generative models have revolutionized de novo …

The miRNA: a small but powerful RNA for COVID-19

S Zhang, K Amahong, X Sun, X Lian, J Liu… - Briefings in …, 2021 - academic.oup.com
Abstract Coronavirus disease 2019 (COVID-19) caused by severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2) is a severe and rapidly evolving epidemic. Now …

Therapeutic target database update 2022: facilitating drug discovery with enriched comparative data of targeted agents

Y Zhou, Y Zhang, X Lian, F Li, C Wang… - Nucleic acids …, 2022 - academic.oup.com
Drug discovery relies on the knowledge of not only drugs and targets, but also the
comparative agents and targets. These include poor binders and non-binders for developing …

TheMarker: a comprehensive database of therapeutic biomarkers

Y Zhang, Y Zhou, Y Zhou, X Yu, X Shen… - Nucleic Acids …, 2024 - academic.oup.com
Distinct from the traditional diagnostic/prognostic biomarker (adopted as the indicator of
disease state/process), the therapeutic biomarker (ThMAR) has emerged to be very crucial …

Therapeutic target database 2020: enriched resource for facilitating research and early development of targeted therapeutics

Y Wang, S Zhang, F Li, Y Zhou, Y Zhang… - Nucleic acids …, 2020 - academic.oup.com
Abstract Knowledge of therapeutic targets and early drug candidates is useful for improved
drug discovery. In particular, information about target regulators and the patented …

DrugMAP: molecular atlas and pharma-information of all drugs

F Li, J Yin, M Lu, M Mou, Z Li, Z Zeng, Y Tan… - Nucleic acids …, 2023 - academic.oup.com
The efficacy and safety of drugs are widely known to be determined by their interactions with
multiple molecules of pharmacological importance, and it is therefore essential to …

Decoding the identification mechanism of an SAM-III Riboswitch on ligands through multiple independent Gaussian-accelerated molecular dynamics simulations

J Chen, Q Zeng, W Wang, H Sun… - Journal of Chemical …, 2022 - ACS Publications
S-Adenosyl-l-methionine (SAM)-responsive riboswitches play a central role in the regulation
of bacterial gene expression at the level of transcription attenuation or translation inhibition …

POSREG: proteomic signature discovered by simultaneously optimizing its reproducibility and generalizability

F Li, Y Zhou, Y Zhang, J Yin, Y Qiu… - Briefings in …, 2022 - academic.oup.com
Mass spectrometry-based proteomic technique has become indispensable in current
exploration of complex and dynamic biological processes. Instrument development has …

ADCdb: the database of antibody–drug conjugates

L Shen, X Sun, Z Chen, Y Guo, Z Shen… - Nucleic Acids …, 2024 - academic.oup.com
Antibody-drug conjugates (ADCs) are a class of innovative biopharmaceutical drugs, which,
via their antibody (mAb) component, deliver and release their potent warhead (aka. payload) …

DRESIS: the first comprehensive landscape of drug resistance information

X Sun, Y Zhang, H Li, Y Zhou, S Shi… - Nucleic acids …, 2023 - academic.oup.com
Widespread drug resistance has become the key issue in global healthcare. Extensive
efforts have been made to reveal not only diverse diseases experiencing drug resistance …