2D- and 3D-QSAR modelling, molecular docking and in vitro evaluation studies on 18β-glycyrrhetinic acid derivatives against triple-negative breast cancer cell line-Reference-Cited by-同舟云学术

2D- and 3D-QSAR modelling, molecular docking and in vitro evaluation studies on 18β-glycyrrhetinic acid derivatives against triple-negative breast cancer cell line

Published:2019-02-22 Issue:1 Volume:38 Page:168-185
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Shukla Aparna¹,Tyagi Rekha²,Meena Sanjeev³,Datta Dipak³,Srivastava Santosh Kumar²^ORCID,Khan Feroz¹

Affiliation:

1. Metabolic and Structural Biology Department, CSIR-Central Institute of Medicinal and Aromatic Plants, Lucknow, Uttar Pradesh, India;

2. Medicinal Chemistry Division, Central Institute of Medicinal and Aromatic Plants, Lucknow, Uttar Pradesh, India;

3. Biochemistry Division, CSIR-Central Drug Research Institute (CDRI), Lucknow, Uttar Pradesh, India

Funder

Department of Science and Technology

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2019.1570868

Reference46 articles.

1. Abagyan, R. (2018). Retrieved from http://www.molsoft.com/icm-chemist-pro.html

2. Integrating regression and classification-based QSARs with molecular docking analyses to explore the structure-antiaromatase activity relationships of letrozole-based analogs

3. Exploring pyrazolo[3,4-d]pyrimidine phosphodiesterase 1 (PDE1) inhibitors: a predictive approach combining comparative validated multiple molecular modelling techniques

4. Basal-like and triple-negative breast cancers: a critical review with an emphasis on the implications for pathologists and oncologists

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