[HTML][HTML] In-silico activity prediction and docking studies of some flavonol derivatives as anti-prostate cancer agents based on Monte Carlo optimization
The QSAR models are employed to predict the anti-proliferative activity of 81 derivatives of
flavonol against prostate cancer using the Monte Carlo algorithm based on the index of …
flavonol against prostate cancer using the Monte Carlo algorithm based on the index of …
Molecular modelling of antiproliferative inhibitors based on SMILES descriptors using Monte-Carlo method, docking, MD simulations and ADME/Tox studies
Cancer is one of the greatest challenges that worry the minds of scientists and threatens
human life. Despite the presence of several drugs on the market, their effectiveness remains …
human life. Despite the presence of several drugs on the market, their effectiveness remains …
In silico anticancer evaluation, molecular docking and pharmacophore modeling of flavonoids against various cancer targets
Background: Designing and development of molecules for cancer treatment useful and with
no side effects are a big challenge for the researchers in the field of drug discovery. The use …
no side effects are a big challenge for the researchers in the field of drug discovery. The use …
QSAR, action mechanism and molecular design of flavone and isoflavone derivatives with cytotoxicity against HeLa
SY Liao, JC Chen, L Qian, Y Shen, KC Zheng - European journal of …, 2008 - Elsevier
The quantitative structure–activity relationship (QSAR) of 32 flavone and isoflavone
derivatives with cytotoxicity expressed as pGC50, which is defined as the negative value of …
derivatives with cytotoxicity expressed as pGC50, which is defined as the negative value of …
[HTML][HTML] QSAR, QSTR, and molecular docking studies of the anti-proliferative activity of phenylpiperazine derivatives against DU145 prostate cancer cell lines
FA Ikwu, GA Shallangwa, PA Mamza - Beni-Suef University Journal of …, 2020 - Springer
Background Prostate cancer is the most common non-cutaneous cancer in males and
accounts for about 4% of all cancer-related deaths in males annually. In silico methods …
accounts for about 4% of all cancer-related deaths in males annually. In silico methods …
Multiple QSAR models, pharmacophore pattern and molecular docking analysis for anticancer activity of α, β-unsaturated carbonyl-based compounds, oxime and …
VH Masand, NNE El-Sayed, MU Bambole… - Journal of Molecular …, 2018 - Elsevier
Multiple discrete quantitative structure–activity relationships (QSARs) models were
constructed for the anticancer activity of α, β-unsaturated carbonyl-based compounds, oxime …
constructed for the anticancer activity of α, β-unsaturated carbonyl-based compounds, oxime …
3D-QSAR and molecular docking studies on design anti-prostate cancer curcumin analogues
X Meng, L Cui, F Song, M Luan, J Ji… - … -Aided Drug Design, 2020 - ingentaconnect.com
Background: Prostate cancer is one of the most common tumors in the world and the fifth
leading cause of male cancer death. Although the treatment of localized androgen …
leading cause of male cancer death. Although the treatment of localized androgen …
[HTML][HTML] The predicted models of anti-colon cancer and anti-hepatoma activities of substituted 4-anilino coumarin derivatives using quantitative structure-activity …
Objectives The objective of this work was to predict anti-colon and anti-hepatoma cancer
activity of newly designed substituted 4-anilino coumarin derivatives using quantitative …
activity of newly designed substituted 4-anilino coumarin derivatives using quantitative …
[HTML][HTML] Evaluation of Biological Activities of Twenty Flavones and In Silico Docking Study
M Belaiba, S Aldulaijan, S Messaoudi, M Abedrabba… - Molecules, 2023 - mdpi.com
This work aimed to evaluate the biological activities of 20 flavones (M1 to M20) and discuss
their structure–activity relationships. In vitro assays were established to assess their …
their structure–activity relationships. In vitro assays were established to assess their …
An exploration of the antiproliferative potential of chalcones and dihydropyrazole derivatives in prostate cancer via androgen receptor: combined QSAR, machine …
In this study, the antiproliferative activities of some chalcones and dihydro pyrazole
derivatives in prostate cancer were investigated via the androgen receptor using the QSAR …
derivatives in prostate cancer were investigated via the androgen receptor using the QSAR …
相关搜索
- flavonol derivatives cancer agents
- dihydropyrazole derivatives prostate cancer
- smiles descriptors monte carlo
- cancer targets molecular docking
- molecular modelling monte carlo
- combined qsar prostate cancer
- antiproliferative potential prostate cancer
- anticancer activity docking analysis
- androgen receptor prostate cancer
- machine learning prostate cancer