Network pharmacology prediction and molecular docking-based strategy to explore the potential mechanism of Huanglian Jiedu Decoction against sepsis

X Li, S Wei, S Niu, X Ma, H Li, M Jing, Y Zhao - Computers in biology and …, 2022 - Elsevier
Abstract Background Huanglian Jiedu Decoction (HLJDD) is a classical herbal formula with
potential efficacy in the treatment of sepsis. However, the main components and potential …

[HTML][HTML] Recent advances in metabolomics analysis for early drug development

JC Alarcon-Barrera, S Kostidis, A Ondo-Mendez… - Drug discovery today, 2022 - Elsevier
Highlights•Metabolomics has become a widely applied tool in drug development.•
Metabolomics plays a key role for the identification of physiological response markers.• …

Identifying drug–target interactions based on graph convolutional network and deep neural network

T Zhao, Y Hu, LR Valsdottir, T Zang… - Briefings in …, 2021 - academic.oup.com
Identification of new drug–target interactions (DTIs) is an important but a time-consuming
and costly step in drug discovery. In recent years, to mitigate these drawbacks, researchers …

A review on computer‐aided chemogenomics and drug repositioning for rational COVID‐19 drug discovery

S Maghsoudi, B Taghavi Shahraki… - Chemical Biology & …, 2022 - Wiley Online Library
Application of materials capable of energy harvesting to increase the efficiency and
environmental adaptability is sometimes reflected in the ability of discovery of some traces in …

An optimized herbal combination for the treatment of liver fibrosis: Hub genes, bioactive ingredients, and molecular mechanisms

Q Zhao, J Bai, Y Chen, X Liu, S Zhao, G Ling… - Journal of …, 2022 - Elsevier
Ethnopharmacological relevance Liver fibrosis is a chronic liver disease that can lead to
cirrhosis, liver failure, and hepatocellular carcinoma, and it is associated with long-term …

In Silico Toxicology Data Resources to Support Read-Across and (Q)SAR

G Pawar, JC Madden, D Ebbrell, JW Firman… - Frontiers in …, 2019 - frontiersin.org
A plethora of databases exist online that can assist in in silico chemical or drug safety
assessment. However, a systematic review and grouping of databases, based on purpose …

Critical review of synthesis, toxicology and detection of acyclovir

YP Wei, LY Yao, YY Wu, X Liu, LH Peng, YL Tian… - Molecules, 2021 - mdpi.com
Acyclovir (ACV) is an effective and selective antiviral drug, and the study of its toxicology and
the use of appropriate detection techniques to control its toxicity at safe levels are extremely …

Transforming drug design: Innovations in computer-aided discovery for biosimilar agents

S Askari, A Ghofrani, H Taherdoost - BioMedInformatics, 2023 - mdpi.com
In pharmaceutical research and development, pursuing novel therapeutics and optimizing
existing drugs have been revolutionized by the fusion of cutting-edge technologies and …

Network-based methods and their applications in drug discovery

Z Yu, Z Wu, Z Wang, Y Wang, M Zhou… - Journal of Chemical …, 2023 - ACS Publications
Drug discovery is time-consuming, expensive, and predominantly follows the “one drug→
one target→ one disease” paradigm. With the rapid development of systems biology and …

Deciphering the lexicon of protein targets: a review on multifaceted drug discovery in the era of artificial intelligence

S Nandi, S Bhaduri, D Das, P Ghosh… - Molecular …, 2024 - ACS Publications
Understanding protein sequence and structure is essential for understanding protein–
protein interactions (PPIs), which are essential for many biological processes and diseases …