Cargando…

wSDTNBI: a novel network-based inference method for virtual screening

In recent years, the rapid development of network-based methods for the prediction of drug–target interactions (DTIs) provides an opportunity for the emergence of a new type of virtual screening (VS), namely, network-based VS. Herein, we reported a novel network-based inference method named wSDTNBI....

Descripción completa

Detalles Bibliográficos
Autores principales:	Wu, Zengrui, Ma, Hui, Liu, Zehui, Zheng, Lulu, Yu, Zhuohang, Cao, Shuying, Fang, Wenqing, Wu, Lili, Li, Weihua, Liu, Guixia, Huang, Jin, Tang, Yun
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8790893/ https://www.ncbi.nlm.nih.gov/pubmed/35211272 http://dx.doi.org/10.1039/d1sc05613a

Ejemplares similares

Network-Based Methods for Prediction of Drug-Target Interactions
por: Wu, Zengrui, et al.
Publicado: (2018)

Insights into the molecular mechanisms of Huangqi decoction on liver fibrosis via computational systems pharmacology approaches
por: Wang, Biting, et al.
Publicado: (2021)

Computational prediction of microRNA networks incorporating environmental toxicity and disease etiology
por: Li, Jie, et al.
Publicado: (2014)

A Computational Systems Pharmacology Approach to Investigate Molecular Mechanisms of Herbal Formula Tian-Ma-Gou-Teng-Yin for Treatment of Alzheimer’s Disease
por: Wang, Tianduanyi, et al.
Publicado: (2018)

Prediction of anti-inflammatory peptides by a sequence-based stacking ensemble model named AIPStack
por: Deng, Hua, et al.
Publicado: (2022)

In Silico discovery of aptamers with an enhanced library design strategy
por: Chen, Long, et al.
Publicado: (2023)

Insights into the mechanism of Arnebia euchroma on leukemia via network pharmacology approach
por: Wang, Biting, et al.
Publicado: (2020)

In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network
por: Huang, Mengting, et al.
Publicado: (2022)

Network-based identification of microRNAs as potential pharmacogenomic biomarkers for anticancer drugs
por: Li, Jie, et al.
Publicado: (2016)

A multitask GNN-based interpretable model for discovery of selective JAK inhibitors
por: Wang, Yimeng, et al.
Publicado: (2022)

Combined mass spectrometry-guided genome mining and virtual screening for acaricidal activity in secondary metabolites of Bacillus velezensis W1
por: Li, Xingyu, et al.
Publicado: (2021)

In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts
por: Yang, Hongbin, et al.
Publicado: (2018)

Corrigendum: In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts
por: Yang, Hongbin, et al.
Publicado: (2018)

Refinement and Rescoring of Virtual Screening Results
por: Rastelli, Giulio, et al.
Publicado: (2019)

Prediction of Chemical-Protein Interactions Network with Weighted Network-Based Inference Method
por: Cheng, Feixiong, et al.
Publicado: (2012)

Structure-Based Virtual Screening and Identification of Potential Inhibitors of SARS-CoV-2 S-RBD and ACE2 Interaction
por: Xiong, Jiacheng, et al.
Publicado: (2021)

Improved method of structure-based virtual screening based on ensemble learning
por: Li, Jin, et al.
Publicado: (2020)

A vending machine for drug-like molecules – automated synthesis of virtual screening hits
por: McMillan, Angus E., et al.
Publicado: (2022)

Selective desaturation of amides: a direct approach to enamides
por: Li, Xinwei, et al.
Publicado: (2022)

Potential Inhibitors of Fascin From A Database of Marine Natural Products: A Virtual Screening and Molecular Dynamics Study
por: Lin, Lirui, et al.
Publicado: (2021)

Development of a Multi-Target Strategy for the Treatment of Vitiligo via Machine Learning and Network Analysis Methods
por: Wang, Jiye, et al.
Publicado: (2021)

Virtual Screening of TADF Emitters for Single-Layer OLEDs
por: Lin, Kun-Han, et al.
Publicado: (2021)

Deep Neural Network Classifier for Virtual Screening Inhibitors of (S)-Adenosyl-L-Methionine (SAM)-Dependent Methyltransferase Family
por: Li, Fei, et al.
Publicado: (2019)

Discovery of novel inhibitors targeting nematode chitinase CeCht1: Virtual screening, biological evaluation, and molecular dynamics simulation
por: Shen, Shengqiang, et al.
Publicado: (2022)

Virtual screening for high affinity guests for synthetic supramolecular receptors
por: Cullen, William, et al.
Publicado: (2015)

Structure-Based Virtual Screening: From Classical to Artificial Intelligence
por: Maia, Eduardo Habib Bechelane, et al.
Publicado: (2020)

Identification of xanthine oxidase inhibitors through hierarchical virtual screening
por: Yang, Ying, et al.
Publicado: (2020)

Hydrate slurry flow property in W/O emulsion systems
por: Shi, Bohui, et al.
Publicado: (2018)

Combination of Virtual Screening Protocol by in Silico toward the Discovery of Novel 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors
por: Fu, Ying, et al.
Publicado: (2018)

Discovery of New α-Glucosidase Inhibitors: Structure-Based Virtual Screening and Biological Evaluation
por: Liu, Shan-Kui, et al.
Publicado: (2021)

Teaching an Old Dog New Tricks: Strategies That Improve Early Recognition in Similarity-Based Virtual Screening
por: Liu, Ruifeng, et al.
Publicado: (2019)

Quantum Chemical Approaches in Structure-Based Virtual Screening and Lead Optimization
por: Cavasotto, Claudio N., et al.
Publicado: (2018)

Discovery of Natural Products as Novel and Potent FXR Antagonists by Virtual Screening
por: Diao, Yanyan, et al.
Publicado: (2018)

Virtual Screening on Marine Natural Products for Discovering TMPRSS2 Inhibitors
por: Mahmudpour, Mehdi, et al.
Publicado: (2021)

Antiviral nanoparticle ligands identified with datamining and high-throughput virtual screening
por: Booker, Edward Peter, et al.
Publicado: (2021)

Virtual screening of organic quinones as cathode materials for sodium-ion batteries
por: Zhou, Xuan, et al.
Publicado: (2023)

Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference
por: Cheng, Feixiong, et al.
Publicado: (2012)

Evaluation of a Bayesian inference network for ligand-based virtual screening
por: Chen, Beining, et al.
Publicado: (2009)

Graph Neural Networks as a Potential Tool in Improving Virtual Screening Programs
por: Alves, Luiz Anastacio, et al.
Publicado: (2022)

LSA: a local-weighted structural alignment tool for pharmaceutical virtual screening
por: Li, Xiuming, et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_eflfdpnovjpra2vm63bujqmc9c