[HTML][HTML] Artificial intelligence in pharmaceutical sciences

M Lu, J Yin, Q Zhu, G Lin, M Mou, F Liu, Z Pan, N You… - Engineering, 2023 - Elsevier
Drug discovery and development affects various aspects of human health and dramatically
impacts the pharmaceutical market. However, investments in a new drug often go …

TTD: Therapeutic Target Database describing target druggability information

Y Zhou, Y Zhang, D Zhao, X Yu, X Shen… - Nucleic acids …, 2024 - academic.oup.com
Target discovery is one of the essential steps in modern drug development, and the
identification of promising targets is fundamental for develo** first-in-class drug. A variety …

Tackling undruggable targets with designer peptidomimetics and synthetic biologics

CS Swenson, G Mandava, DM Thomas… - Chemical …, 2024 - ACS Publications
The development of potent, specific, and pharmacologically viable chemical probes and
therapeutics is a central focus of chemical biology and therapeutic development. However, a …

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 …

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 …

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 …

Molecular mechanism for the allosteric inhibition of the human serotonin transporter by antidepressant escitalopram

W Xue, T Fu, S Deng, F Yang, J Yang… - ACS chemical …, 2022 - ACS Publications
Human serotine transporter (hSERT) is one of the most influential drug targets, and its
allosteric modulators (eg, escitalopram) have emerged to be the next-generation medication …

PFmulDL: a novel strategy enabling multi-class and multi-label protein function annotation by integrating diverse deep learning methods

W **a, L Zheng, J Fang, F Li, Y Zhou, Z Zeng… - Computers in Biology …, 2022 - Elsevier
Bioinformatic annotation of protein function is essential but extremely sophisticated, which
asks for extensive efforts to develop effective prediction method. However, the existing …