Discovery of new potential CDK2/VEGFR2 type II inhibitors by fragmentation and virtual screening of natural products-Reference-Cited by-同舟云学术

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Discovery of new potential CDK2/VEGFR2 type II inhibitors by fragmentation and virtual screening of natural products

Published:2020-05-13 Issue: Volume: Page:1-15
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Vásquez Andrés Felipe¹,Reyes Muñoz Alejandro²³,Duitama Jorge⁴,González Barrios Andrés¹

Affiliation:

1. Grupo de Diseño de Productos y Procesos (GDPP), Department of Chemical Engineering, Universidad de los Andes, Bogotá, Colombia;

2. Grupo de Biología Computacional Ecología Microbiana (BCEM), Department of Biological Sciences, Universidad de los Andes, Bogotá, Colombia;

3. Max Planck Tandem Group in Computational Biology, Universidad de los Andes, Bogotá, Colombia;

4. Systems and Computing Engineering Department, Universidad de los Andes, Bogotá, Colombia

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1763839

Reference108 articles.

1. Ligand efficiency indices as guideposts for drug discovery

2. Drug metabolism and pharmacokinetics, the blood-brain barrier, and central nervous system drug discovery

3. Type II Inhibitors Targeting CDK2

4. The Design and Docking of Virtual Compound Libraries to Structures of Drug Targets

5. Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases

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1. Computational assessment of pigment epithelium-derived factor as an anti-cancer protein during its interaction with the receptors;Journal of Biomolecular Structure and Dynamics;2022-05-05

2. Mechanistic Insights into Biological Activities of Polyphenolic Compounds from Rosemary Obtained by Inverse Molecular Docking;Foods;2021-12-28

3. Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review;European Journal of Medicinal Chemistry;2021-11

4. Non-Extensive Fragmentation of Natural Products and Pharmacophore-Based Virtual Screening as a Practical Approach to Identify Novel Promising Chemical Scaffolds;Frontiers in Chemistry;2021-08-02

5. Classical MD and metadynamics simulations on back-pocket binders of CDK2 and VEGFR2: a guidepost to design novel small-molecule dual inhibitors;Journal of Biomolecular Structure and Dynamics;2021-05-05

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