Identification and optimization of TDP1 inhibitors from anthraquinone and chalcone derivatives: consensus scoring virtual screening and molecular simulations-Reference-Cited by-同舟云学术

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Identification and optimization of TDP1 inhibitors from anthraquinone and chalcone derivatives: consensus scoring virtual screening and molecular simulations

Published:2023-09-11 Issue: Volume: Page:1-25
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Moshawih Said¹,Goh Hui Poh¹,Kifli Nurolaini¹,Darwesh Mohammed Abd ElFattah¹,Ardianto Chrismawan²,Goh Khang Wen³,Ming Long Chiau¹²⁴

Affiliation:

1. PAPRSB Institute of Health Sciences, Universiti Brunei Darussalam, Gadong, Brunei Darussalam

2. Department of Pharmacy Practice, Universitas Airlangga, Surabaya, Indonesia

3. Faculty of Data Science and Information Technology, INTI International University, Nilai, Malaysia

4. School of Medical and Life Sciences, Sunway University, Sunway City, Malaysia

Funder

PAPRSB Institute of Health Sciences, Universiti Brunei Darussalam

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2256870

Reference62 articles.

1. 22.04.1. (2022). Ubunt22.04.1 LTS.

2. ACD/Labs-Freeware. (2021). ACD/ChemSketch. Canada.

3. Novel high-throughput electrochemiluminescent assay for identification of human tyrosyl-DNA phosphodiesterase (Tdp1) inhibitors and characterization of furamidine (NSC 305831) as an inhibitor of Tdp1

4. A Review of Methods Available to Estimate Solvent-Accessible Surface Areas of Soluble Proteins in the Folded and Unfolded States

5. Binding-DB. (2022). Binding Database.

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