Structure-based discovery of interleukin-33 inhibitors: a pharmacophore modelling, molecular docking, and molecular dynamics simulation approach-Reference-Cited by-同舟云学术

Structure-based discovery of interleukin-33 inhibitors: a pharmacophore modelling, molecular docking, and molecular dynamics simulation approach

Published:2020-11-16 Issue:12 Volume:31 Page:883-904
ISSN:1062-936X
Container-title:SAR and QSAR in Environmental Research
language:en
Short-container-title:SAR and QSAR in Environmental Research

Author:

Le M.-T.¹²,Mai T.T.²³^ORCID,Huynh P.N.H.²³,Tran T.-D.²,Thai K.-M.²³^ORCID,Nguyen Q.-T.²³^ORCID

Affiliation:

1. School of Medicine, Vietnam National University Ho Chi Minh City, Ho Chi Minh City, Vietnam

2. Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam

3. Saigon Pharmaceutical Science and Technology Center - Sapharcen, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, Vietnam

Funder

National Foundation for Science and Technology Development

Vietnam National University - Ho Chi Minh City

Domestic Master/ PhD Scholarship Programme of Vingroup Innovation Foundation

Publisher

Informa UK Limited

Subject

Drug Discovery,Molecular Medicine,General Medicine,Bioengineering

Link

https://www.tandfonline.com/doi/pdf/10.1080/1062936X.2020.1837239

Reference39 articles.

1. Molecular Characterization of NF-HEV, a Nuclear Factor Preferentially Expressed in Human High Endothelial Venules

2. IL-33 and Airway Inflammation

3. Crucial and Diverse Role of the Interleukin-33/ST2 Axis in Infectious Diseases

4. Structural insights into the interaction of IL-33 with its receptors

5. Role of IL-33 in inflammation and disease

Cited by 17 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Toward Unveiling Putative Binding Sites of Interleukin-33: Insights from Mixed-Solvent Molecular Dynamics Simulations of the Interleukin-1 Family;The Journal of Physical Chemistry B;2024-08-23

2. Computational assessment and in vitro test of phytochemicals of Usnea aciculifera as potential inhibitors of Escherichia coli efflux pump AcrB;Journal of Biomolecular Structure and Dynamics;2023-12-13

3. Identification of efflux pump inhibitors for Pseudomonas aeruginosa MexAB-OprM via ligand-based pharmacophores, 2D-QSAR, molecular docking, and molecular dynamics approaches;Molecular Diversity;2023-11-03

4. Targeting Olokizumab-Interleukin 6 interaction interface to discover novel IL-6 inhibitors;Journal of Biomolecular Structure and Dynamics;2023-03-30

5. Discovery of AcrAB-TolC pump inhibitors: Virtual screening and molecular dynamics simulation approach;Journal of Biomolecular Structure and Dynamics;2023-02-10