Network pharmacology, a promising approach to reveal the pharmacology mechanism of Chinese medicine formula

L Zhao, H Zhang, N Li, J Chen, H Xu, Y Wang… - Journal of …, 2023 - Elsevier
Ethnopharmacological relevance Network pharmacology is a new discipline based on
systems biology theory, biological system network analysis, and multi-target drug molecule …

Artificial intelligence to deep learning: machine intelligence approach for drug discovery

R Gupta, D Srivastava, M Sahu, S Tiwari, RK Ambasta… - Molecular …, 2021 - Springer
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …

RCSB Protein Data Bank (RCSB. org): delivery of experimentally-determined PDB structures alongside one million computed structure models of proteins from …

SK Burley, C Bhikadiya, C Bi, S Bittrich… - Nucleic acids …, 2023 - academic.oup.com
Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB
PDB), founding member of the Worldwide Protein Data Bank (wwPDB), is the US data center …

Genomic atlas of the plasma metabolome prioritizes metabolites implicated in human diseases

Y Chen, T Lu, U Pettersson-Kymmer, ID Stewart… - Nature …, 2023 - nature.com
Metabolic processes can influence disease risk and provide therapeutic targets. By
conducting genome-wide association studies of 1,091 blood metabolites and 309 metabolite …

FlyBase: a guided tour of highlighted features

LS Gramates, J Agapite, H Attrill, BR Calvi… - Genetics, 2022 - academic.oup.com
FlyBase provides a centralized resource for the genetic and genomic data of Drosophila
melanogaster. As FlyBase enters our fourth decade of service to the research community …

MIBiG 3.0: a community-driven effort to annotate experimentally validated biosynthetic gene clusters

BR Terlouw, K Blin, JC Navarro-Munoz… - Nucleic acids …, 2023 - academic.oup.com
With an ever-increasing amount of (meta) genomic data being deposited in sequence
databases,(meta) genome mining for natural product biosynthetic pathways occupies a …

FerrDb V2: update of the manually curated database of ferroptosis regulators and ferroptosis-disease associations

N Zhou, X Yuan, Q Du, Z Zhang, X Shi… - Nucleic acids …, 2023 - academic.oup.com
Ferroptosis is a mode of regulated cell death characterized by iron-dependent accumulation
of lipid peroxidation. It is closely linked to the pathophysiological processes in many …

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 …

ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties

G Xiong, Z Wu, J Yi, L Fu, Z Yang, C Hsieh… - Nucleic acids …, 2021 - academic.oup.com
Because undesirable pharmacokinetics and toxicity of candidate compounds are the main
reasons for the failure of drug development, it has been widely recognized that absorption …

Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review

VT Sabe, T Ntombela, LA Jhamba… - European Journal of …, 2021 - Elsevier
Computer-aided drug design (CADD) is one of the pivotal approaches to contemporary pre-
clinical drug discovery, and various computational techniques and software programs are …