QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme-Reference-Cited by-同舟云学术

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QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme

Published:2023-01-20 Issue:4 Volume:34 Page:1527-1543
ISSN:1040-0400
Container-title:Structural Chemistry
language:en
Short-container-title:Struct Chem

Author:

Er-rajy Mohammed,Fadili Mohamed El,Mujwar Somdutt,Lenda Fatima Zohra,Zarougui Sara,Elhallaoui Menana

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics

Link

https://link.springer.com/content/pdf/10.1007/s11224-022-02111-x.pdf

Reference71 articles.

1. Golbraikh A, Tropsha A (2002) Predictive QSAR modeling based on diversity sampling of experimentaldatasets for the training and test set selection. Mol Divers 2000:231–243

2. Roy K, Mitra I, Kar S et al (2012) Comparative studies on some metrics for external validation of QSPRmodels. J Chem Inf Model 52:396–408. https://doi.org/10.1021/ci200520g

3. Kciuk M, Gielecińska A, Mujwar S et al (2022) Targeting carbonic anhydrase IX and XII isoforms with small molecule inhibitors and monoclonal antibodies. 37:1278–1298. https://doi.org/10.1080/14756366.2022.2052868

4. Gencheva R, Arner ESJ (2022) Thioredoxin reductase inhibition for cancer therapy. 62. https://doi.org/10.1146/ANNUREV-PHARMTOX-052220-102509

5. Bindoli A, Rigobello MP, Scutari G et al (2009) Thioredoxin reductase: a target for gold compounds acting as potential anticancer drugs. Coord Chem Rev 253:1692–1707. https://doi.org/10.1016/J.CCR.2009.02.026

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