Novel pyrrolopyridinone derivatives as anticancer inhibitors towards Cdc7: QSAR studies based on dockings by solvation score approach

X Wu, H Zeng, X Zhu, Q Ma, Y Hou, X Wu - European Journal of …, 2013 - Elsevier
… on pyrrolopyridinone derivatives as Cdc7 inhibitors using linear solvation/non-solvation
scores approach, which helps us to predict the inhibitory activity of newly developed derivatives. …

POSTER PRESENTATIONS (GROUP B)

C Luu, M Tabrizizad, S Gillette, PN Ibrahim, DR Artis… - access.portico.org
Docking results suggested that these derivatives are active … In this study the correlations
between the anticancer activities and … of the solvation-thermodynamic approach application to …

[HTML][HTML] Computational and pharmacokinetics studies of 1, 3-dimethylbenzimidazolinone analogues of new proposed agent against Alzheimer's disease

A Ajala, A Uzairu, GA Shallangwa… - Beni-Suef University …, 2022 - Springer
… to find effective novel drugs and new biological targets. … and molecular docking of
benzimidazolinone derivatives. … To supplement the findings of the 3D-QSAR and docking studies, …

[HTML][HTML] Anticancer pyridines induce G2/M arrest and apoptosis via p53 and JNK upregulation in liver and breast cancer cells

VP Androutsopoulos… - Oncology reports, 2018 - spandidos-publications.com
… of one novel pyridine and one novel pyridone anticancer … activity of pyridine derivatives
against several types of cancer … of histone deacetylases, inhibition of Cdc7 and inhibition of …

Screening of novel inhibitors targeting lactate dehydrogenase A via four molecular docking strategies and dynamics simulations

R Sun, X Li, Y Li, X Zhang, X Li, X Li, Z Shi… - Journal of Molecular …, 2015 - Springer
anticancer therapy in recent years. However, very few LDHA … virtual screening method, which
identified novel inhibitors that … study, molecular docking was carried out using solvation and …

QSAR Study on Imidazole Derivatives as Corrosion Inhibitors by Genetic Function Approximation Method

S Xiong, JL Sun, Y Xu, XD Yan - Materials Science Forum, 2016 - Trans Tech Publ
… of data values within the column is skewed toward negative values. Kurtosis is the fourth …
In Table 4, the Friedman’s lack-of-fit (LOF) score[20], which evaluates the QSAR model by …

Multi-tasking chemoinformatic model for the efficient discovery of potent and safer anti-bladder cancer agents

A Speck-Planche, M Cordeiro - … Journal of Cancer Research …, 2014 - search.proquest.com
… A novel approach for the virtual screening and rational design of anticancer compounds.
J. … De novo design of N-(pyridin-4-ylmethyl)aniline derivatives as KDR inhibitors: 3D-QSAR, …