Discovering Anti-Cancer Drugs via Computational Methods

W Cui, A Aouidate, S Wang, Q Yu, Y Li… - Frontiers in …, 2020 - frontiersin.org
New drug discovery has been acknowledged as a complicated, expensive, time-consuming,
and challenging project. It has been estimated that around 12 years and 2.7 billion USD, on …

In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs

Z Gagic, D Ruzic, N Djokovic, T Djikic… - Frontiers in …, 2020 - frontiersin.org
Rational drug design implies usage of molecular modeling techniques such as
pharmacophore modeling, molecular dynamics, virtual screening, and molecular docking to …

Emerging cellular and molecular mechanisms underlying anticancer indications of chrysin

M Talebi, M Talebi, T Farkhondeh… - Cancer Cell …, 2021 - Springer
Chrysin has been shown to exert several beneficial pharmacological activities. Chrysin has
anti-cancer, anti-viral, anti-diabetic, neuroprotective, cardioprotective, hepatoprotective, and …

Broad-spectrum preclinical antitumor activity of chrysin: current trends and future perspectives

ER Moghadam, HL Ang, SE Asnaf, A Zabolian… - Biomolecules, 2020 - mdpi.com
Pharmacological profile of phytochemicals has attracted much attention to their use in
disease therapy. Since cancer is a major problem for public health with high mortality and …

Targeting cancer stem cells by dietary agents: an important therapeutic strategy against human malignancies

M Deldar Abad Paskeh, S Asadi, A Zabolian… - International Journal of …, 2021 - mdpi.com
As a multifactorial disease, treatment of cancer depends on understanding unique
mechanisms involved in its progression. The cancer stem cells (CSCs) are responsible for …

Identification of potential edible spices as EGFR and EGFR mutant T790M/L858R inhibitors by structure-based virtual screening and molecular dynamics

I Ahmad Ansari, B Debnath, S Kar… - Journal of …, 2024 - Taylor & Francis
Epidermal growth factor receptor (EGFR) tyrosine kinases are overexpressed in several
human cancers and could serve as a promising anti-cancer drug target. With this in view, the …

Recent insights into therapeutic potential of plant-derived flavonoids against cancer

R Mohi-Ud-Din, RH Mir, S Sabreen… - Anti-Cancer Agents …, 2022 - ingentaconnect.com
Flavonoids, a class of polyphenolic secondary metabolites, are present in fruits, vegetables,
beverages such as wine and tea abundantly. Flavonoids exhibit a diverse array of …

Induction of caspase-mediated apoptosis in HepG2 liver carcinoma cells using mutagen–antioxidant conjugated self-assembled novel carbazole nanoparticles and in …

K Anand, NS Abdul, T Ghazi, M Ramesh, G Gupta… - ACS …, 2020 - ACS Publications
In this study, novel self-assembled carbazole-thiooctanoic acid nanoparticles (CTNs) were
synthesized from amino carbazole (a mutagen) and thiooctanoic acid (an antioxidant). The …

Mushrooms are potential foods against cancer: Identified by molecular docking and molecular dynamics simulation

S Debnath, D Sen - Natural Product Research, 2022 - Taylor & Francis
Abstract Epidermal Growth Factor Receptor (EGFR) is a promising drug target for the
discovery of cancer chemotherapeutics. EGFR tyrosine kinase inhibitors become resistant …

Recent advances on epidermal growth factor receptor as a molecular target for breast cancer therapeutics

SR Shetty, R Yeeravalli, T Bera… - Anti-Cancer Agents in …, 2021 - ingentaconnect.com
Epidermal Growth Factor Receptor (EGFR), a type-I transmembrane protein with intrinsic
tyrosine kinase activity, is activated by peptide growth factors such as EGF, epigen …