4.6 Article

3D-QSAR, molecular docking, molecular dynamics, and ADME/T analysis of marketed and newly designed flavonoids as inhibitors of Bcl-2 family proteins for targeting U-87 glioblastoma

Related references

Note: Only part of the references are listed.
Article Chemistry, Multidisciplinary

Atom-based 3D-QSAR, molecular docking, DFT, and simulation studies of acylhydrazone, hydrazine, and diazene derivatives as IN-LEDGF/p75 inhibitors

Umesh Panwar et al.

Summary: The study utilized computational methods to investigate a series of integrase inhibitors, leading to the development of a 3D-QSAR model with high predictive ability. The research further explored the binding mode interaction and energy involvement of active compounds with integrase, providing insight for designing anti-HIV inhibitors based on stability analysis.

STRUCTURAL CHEMISTRY (2021)

Article Chemistry, Medicinal

Synthesis, molecular docking, and biological activities of new cyanopyridine derivatives containing phenylurea

Hayreddin Gezegen et al.

Summary: A new class of cyanopyridine derivatives containing phenylurea unit was synthesized and tested against metabolic enzymes. The inhibition effects of these compounds were compared with standard enzyme inhibitors, and molecular docking calculations were conducted to evaluate their biological activities. Additionally, ADME/T analysis was performed to assess the potential drug properties of these new cyanopyridine derivatives.

ARCHIV DER PHARMAZIE (2021)

Article Biochemistry & Molecular Biology

The natural flavones, acacetin and apigenin, induce Cdk-Cyclin mediated G2/M phase arrest and trigger ROS-mediated apoptosis in glioblastoma cells

Anil Khushalrao Shendge et al.

Summary: This study evaluated the anticancer activity of acacetin and apigenin on glioblastoma cells, showing selective cytotoxicity, induction of apoptosis, and ROS generation in U87 cells. The compounds inhibited cell growth by inducing G2/M phase arrest and activating caspase-cascade pathways, demonstrating significant effects on U87 cells.

MOLECULAR BIOLOGY REPORTS (2021)

Article Oncology

Genistein inhibits radiation-induced invasion and migration of glioblastoma cells by blocking the DNA-PKcs/Akt2/Rac1 signaling pathway

Xiongxiong Liu et al.

Summary: This study demonstrated that genistein can effectively inhibit radiation-induced invasion and migration of GBM cells by specifically binding to DNA-PKcs and blocking its pathway. DNA-PKcs is not only a potential target for cancer therapy, but also a reliable biomarker for predicting radiation-induced invasion and migration of GBM cells.

RADIOTHERAPY AND ONCOLOGY (2021)

Article Biochemistry & Molecular Biology

Evaluation of potential anti-RNA-dependent RNA polymerase (RdRP) drugs against the newly emerged model of COVID-19 RdRP using computational methods

Alireza Poustforoosh et al.

Summary: Using molecular docking, it was found that idarubicin and fenoterol have potential antiviral effects against the RNA-dependent RNA polymerase of the novel coronavirus. The presence of RNA in the structure could significantly affect the binding affinity of anti-RdRP drugs.

BIOPHYSICAL CHEMISTRY (2021)

Review Food Science & Technology

Anticancer activity of flavonoids accompanied by redox state modulation and the potential for a chemotherapeutic strategy

Yongkyu Lee et al.

Summary: Studies have shown that flavonoids possess anticancer properties by both scavenging ROS and generating ROS. This comprehensive analysis focuses on the modulation of redox state in cancer cells by flavonoids such as quercetin, hesperetin, and apigenin, highlighting their prooxidative potential for building treatment strategies.

FOOD SCIENCE AND BIOTECHNOLOGY (2021)

Review Nutrition & Dietetics

Flavonoids as Anticancer Agents

Dalia M. Kopustinskiene et al.

NUTRIENTS (2020)

Article Biochemistry & Molecular Biology

Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase

Quan Wang et al.

Article Public, Environmental & Occupational Health

In silico prediction of potential inhibitors for the Main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing

Yogesh Kumar et al.

JOURNAL OF INFECTION AND PUBLIC HEALTH (2020)

Review Oncology

Flavonoids in Cancer Metastasis

Alena Liskova et al.

CANCERS (2020)

Article Biotechnology & Applied Microbiology

Anti-glioblastoma Activity of Kaempferol via Programmed Cell Death Induction: Involvement of Autophagy and Pyroptosis

Suqin Chen et al.

FRONTIERS IN BIOENGINEERING AND BIOTECHNOLOGY (2020)

Article Biochemistry & Molecular Biology

Genetic and epigenetic analysis of the BAX and BCL2 in the placenta of pregnant women complicated by preeclampsia

Abbas Mohammadpour-Gharehbagh et al.

APOPTOSIS (2019)

Review Medicine, Research & Experimental

Luteolin, a flavonoid, as an anticancer agent: A review

Muhammad Imran et al.

BIOMEDICINE & PHARMACOTHERAPY (2019)

Article Chemistry, Medicinal

Cytotoxic oligophenols from the rhizome of Wikstroemia indica

Qirui Wang et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2018)

Article Biochemistry & Molecular Biology

Synthesis of New Glycosylated Flavonoids with Inhibitory Activity on Cell Growth

Ana R. Neves et al.

MOLECULES (2018)

Article Environmental Sciences

Heat processing effect of luteolin on anti-metastasis activity of human glioblastoma cells U87

Dorra El Gueder et al.

ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH (2018)

Review Biochemistry & Molecular Biology

BCL-2 family proteins: changing partners in the dance towards death

Justin Kale et al.

CELL DEATH AND DIFFERENTIATION (2018)

Editorial Material Oncology

Brain Tumors: Challenges and Opportunities to Cure

Ingo K. Mellinghoff et al.

JOURNAL OF CLINICAL ONCOLOGY (2017)

Article Biochemistry & Molecular Biology

Relationship between Antioxidant and Anticancer Activity of Trihydroxyflavones

Ignas Grigalius et al.

MOLECULES (2017)

Article Clinical Neurology

Cytotoxic and Apoptogenic Effects of Cyanidin-3-Glucoside on the Glioblastoma Cell Line

Masoumeh Mansoubi Hosseini et al.

WORLD NEUROSURGERY (2017)

Article Multidisciplinary Sciences

3D-QSAR studies on Maslinic acid analogs for Anticancer activity against Breast Cancer cell line MCF-7

Sarfaraz Alam et al.

SCIENTIFIC REPORTS (2017)

Article Oncology

HLBT-100: a highly potent anti-cancer flavanone from Tillandsia recurvata (L.) L.

Henry I. C. Lowe et al.

CANCER CELL INTERNATIONAL (2017)

Article Chemistry, Medicinal

New Sesquiterpene and Polymethoxy-Flavonoids from Artemisia annua L

Yang Chu et al.

PHARMACOGNOSY MAGAZINE (2014)

Article Biochemistry & Molecular Biology

Physics-based enzyme design: Predicting binding affinity and catalytic activity

Sarah Sirin et al.

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2014)

Article Oncology

Novel Small-Molecule Inhibitors of Bcl-XL to Treat Lung Cancer

Dongkyoo Park et al.

CANCER RESEARCH (2013)

Review Biotechnology & Applied Microbiology

Anti-cancer potential of flavonoids: recent trends and future perspectives

Priya Batra et al.

3 BIOTECH (2013)

Article Integrative & Complementary Medicine

Jaceosidin Induces Apoptosis in U87 Glioblastoma Cells through G2/M Phase Arrest

Muhammad Khan et al.

EVIDENCE-BASED COMPLEMENTARY AND ALTERNATIVE MEDICINE (2012)

Article Biochemistry & Molecular Biology

Quercetin-induced downregulation of phospholipase D-1 inhibits proliferation and invasion in U87 glioma cells

Mi Hee Park et al.

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2011)

Review Medicine, General & Internal

Malignant gliomas in adults

Patrick Y. Wen et al.

NEW ENGLAND JOURNAL OF MEDICINE (2008)

Article Biochemistry & Molecular Biology

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results

Steven L. Dixon et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2006)

Article Biochemistry & Molecular Biology

PHASE: A novel approach to pharmacophore modeling and 3D database searching

Steven L. Dixon et al.

CHEMICAL BIOLOGY & DRUG DESIGN (2006)

Review Multidisciplinary Sciences

The many roles of computation in drug discovery

WL Jorgensen

SCIENCE (2004)

Review Oncology

Cost of migration: Invasion of malignant gliomas and implications for treatment

A Giese et al.

JOURNAL OF CLINICAL ONCOLOGY (2003)