Investigating the binding mechanism of novel 6-aminonicotinate-based antagonists with P2Y12 by 3D-QSAR, docking and molecular dynamics simulations-Reference-Cited by-同舟云学术

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Investigating the binding mechanism of novel 6-aminonicotinate-based antagonists with P2Y12 by 3D-QSAR, docking and molecular dynamics simulations

Published:2016-09-30 Issue:13 Volume:35 Page:2938-2965
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Zhou Shengfu¹^ORCID,Fang Danqing²,Tan Shepei¹,Lin Weicong¹,Wu Wenjuan¹,Zheng Kangcheng³

Affiliation:

1. Department of Physical Chemistry, College of Pharmacy, Guangdong Pharmaceutical University, Guangzhou 510006, China

2. Department of Cardiothoracic Surgery, Affiliated Second Hospital of Guangzhou Medical University, Guangzhou 510260, China

3. School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou 510275, China

Funder

Science and Technology planning Project of Guangzhou

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2016.1237381

Reference34 articles.

1. Synthesis, structure–property relationships and pharmacokinetic evaluation of ethyl 6-aminonicotinate sulfonylureas as antagonists of the P2Y12 receptor

2. A novel series of piperazinyl-pyridine ureas as antagonists of the purinergic P2Y12 receptor

3. Safety and feasibility of adjunctive antiplatelet therapy with intravenous elinogrel, a direct-acting and reversible P2Y12 ADP-receptor antagonist, before primary percutaneous intervention in patients with ST-elevation myocardial infarction: The Early Rapid ReversAl of Platelet ThromboSis with Intravenous Elinogrel before PCI to Optimize REperfusion in Acute Myocardial Infarction (ERASE MI) pilot trial

4. Novel P2Y12 adenosine diphosphate receptor antagonists for inhibition of platelet aggregation (I): In vitro effects on platelets

5. In silico prediction of prostaglandin D2 synthase inhibitors from herbal constituents for the treatment of hair loss

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4. Recommended tool compounds and drugs for blocking P2X and P2Y receptors;Purinergic Signalling;2021-09-02

5. Molecular Modeling Applied to the Discovery of New Lead Compounds for P2 Receptors Based on Natural Sources;Frontiers in Pharmacology;2020-09-29

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