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

Checkpoint blockade in the treatment of breast cancer: current status and future directions

(2018) Lironne Wein et al.   BRITISH JOURNAL OF CANCER

Potential phytocompounds for developing breast cancer therapeutics: Nature’s healing touch

(2018) Javed Iqbal et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

Is it possible to improve the quality of predictions from an “intelligent” use of multiple QSAR/QSPR/QSTR models?

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The selective effect of glycyrrhizin and glycyrrhetinic acid on topoisomerase IIα and apoptosis in combination with etoposide on triple negative breast cancer MDA-MB-231 cells

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

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An Overview of Structurally Modified Glycyrrhetinic Acid Derivatives as Antitumor Agents

(2017) Bing Xu et al.   MOLECULES

Ethnopharmacological Approaches for Therapy of Jaundice: Part II. Highly Used Plant Species from Acanthaceae, Euphorbiaceae, Asteraceae, Combretaceae, and Fabaceae Families

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Glycyrrhetinic Acid Mediated Drug Delivery Carriers for Hepatocellular Carcinoma Therapy

(2016) Yuee Cai et al.   MOLECULAR PHARMACEUTICS

Synthesis and Anticancer Activities of Glycyrrhetinic Acid Derivatives

(2016) Yang Li et al.   MOLECULES

Structural basis for 18-β-glycyrrhetinic acid as a novel non-GSH analog glyoxalase I inhibitor

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Therapeutic targets of triple-negative breast cancer: a review

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Effects of methylglyoxal and glyoxalase I inhibition on breast cancer cells proliferation, invasion, and apoptosis through modulation of MAPKs, MMP9, and Bcl-2

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Discovery of Novel Multiacting Topoisomerase I/II and Histone Deacetylase Inhibitors

(2015) Shipeng He et al.   ACS Medicinal Chemistry Letters

Synthesis of Novel Heterocyclic Ring-Fused 18β-Glycyrrhetinic Acid Derivatives with Antitumor and Antimetastatic Activity

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The glyoxalase pathway: the first hundred years… and beyond

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QSAR, docking and ADMET studies of camptothecin derivatives as inhibitors of DNA topoisomerase-I

(2013) Dharmendra K. Yadav et al.   JOURNAL OF CHEMOMETRICS

QSAR and Docking Based Semi-synthesis and in vitro Evaluation of 18 β-glycyrrhetinic Acid Derivatives Against Human Lung Cancer Cell Line A-549

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Emerging targeted agents in metastatic breast cancer

(2013) Dimitrios Zardavas et al.   Nature Reviews Clinical Oncology

Synthesis and Cytotoxicity of Semisynthetic Withalongolide A Analogues

(2013) Hashim F. Motiwala et al.   ACS Medicinal Chemistry Letters

Breast cancer proteomics reveals a positive correlation between glyoxalase 1 expression and high tumor grade

(2012) MIGUEL A. FONSECA-SÁNCHEZ et al.   INTERNATIONAL JOURNAL OF ONCOLOGY

Ligand binding site superposition and comparison based on Atomic Property Fields: identification of distant homologues, convergent evolution and PDB-wide clustering of binding sites

(2011) Maxim Totrov   BMC BIOINFORMATICS

Further exploring rm2 metrics for validation of QSPR models

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Heterogeneity in breast cancer

(2011) Kornelia Polyak   JOURNAL OF CLINICAL INVESTIGATION

Triple negative breast cancer - prognostic factors and survival

(2011) Tanja Ovcaricek et al.   Radiology and Oncology

Spatial chemical distance based on atomic property fields

(2010) A. V. Grigoryan et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

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

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