Results 81 to 90 of about 1,790,645 (373)

Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure-Activity Relationship Models

Journal of Chemical Information and Modeling, 2018
Multiple approaches to quantitative structure-activity relationship (QSAR) modeling using various statistical or machine learning techniques and different types of chemical descriptors have been developed over the years.
Vinicius M. Alves, A. Golbraikh, Stephen J. Capuzzi, Kammy Liu, Wai In Lam, D. Korn, Diane Pozefsky, C. Andrade, E. Muratov, A. Tropsha   +9 more
semanticscholar   +1 more source

EMT‐associated bias in the Parsortix® system observed with pancreatic cancer cell lines

Molecular Oncology, EarlyView.
The Parsortix® system was tested for CTC enrichment using pancreatic cancer cell lines with different EMT phenotypes. Spike‐in experiments showed lower recovery of mesenchymal‐like cells. This was confirmed with an EMT‐inducible breast cancer cell line.
Nele Vandenbussche, Renske Imschoot, Béatrice Lintermans, Lode Denolf, Joachim Taminau, Charlotte Fieuws, Geert Berx, Kris Gevaert, Kathleen B. M. Claes   +8 more
wiley   +1 more source

Cinnamic Derivatives as Antitubercular Agents: Characterization by Quantitative Structure–Activity Relationship Studies

Molecules, 2020
Tuberculosis, caused by Mycobacterium tuberculosis (Mtb), remains one of the top ten causes of death worldwide and the main cause of mortality from a single infectious agent.
Cátia Teixeira, Cristina Ventura, José R. B. Gomes, Paula Gomes, Filomena Martins   +4 more
doaj   +1 more source

Evaluation of the availability and applicability of computational approaches in the safety assessment of nanomaterials: Final report of the Nanocomput project [PDF]

, 2017
This is the final report of the Nanocomput project, the main aims of which were to review the current status of computational methods that are potentially useful for predicting the properties of engineered nanomaterials, and to assess their applicability
ASCHBERGER KARIN, ASTURIOL BOFILL DAVID, BESSEMS JOSEPH, GERLOFF KIRSTEN BRITTA, GRAEPEL RABEA, JOOSSENS ELISABETH, LAMON LARA, PALOSAARI TAINA, RICHARZ ANDREA, WORTH ANDREW   +9 more
core   +1 more source

Exploring the role of cyclin D1 in the pathogenesis of multiple myeloma beyond cell cycle regulation

Molecular Oncology, EarlyView.
Cyclin D1 overexpression altered the cell adhesion pathway, while cyclin D2 upregulation had less impact on pathway enrichment analysis. Multiple myeloma (MM) patients with cyclin D1 overexpression showed reduced CD56 expression and increased circulating tumor cells (CTC) levels, suggesting that cyclin D1 may contribute to MM cell dissemination ...
Ignacio J. Cardona‐Benavides, Sara Cristobal‐Vargas, Cristina De Ramón, Elizabeta A. Rojas, Irena Misiewicz‐Krzeminska, Isabel Isidro, José Juan Pérez, Bruno Paiva, Noemi Puig, Miguel Alcoceba, María‐Victoria Mateos, Luis A. Corchete, Myriam Cuadrado, Norma C. Gutiérrez   +13 more
wiley   +1 more source

RKIP overexpression reduces lung adenocarcinoma aggressiveness and sensitizes cells to EGFR‐targeted therapies

Molecular Oncology, EarlyView.
RKIP, a metastasis suppressor protein, modulates key oncogenic pathways in lung adenocarcinoma. In silico analyses linked low RKIP expression to poor survival. Functional studies revealed RKIP overexpression reduces tumor aggressiveness and enhances sensitivity to EGFR‐targeted therapies, while its loss promotes resistance.
Ana Raquel‐Cunha, Joana Pinheiro, Rui F. Marques, Patrícia Fontão, Diana Cardoso‐Carneiro, Adriana Mendes, Izabela N. F. Gomes, Ana Carolina Laus, Renato J. da Silva‐Oliveira, Rui Manuel Reis, Olga Martinho   +10 more
wiley   +1 more source

Three Dimensional Quantitative Structure-Activity Relationships of Sulfonamides Binding Monoclonal Antibody by Comparative Molecular Field Analysis [PDF]

, 2008
The three-dimensional quantitative structure-activity relationship (3D-QSAR) model of sulfonamide analogs binding a monoclonal antibody (MabSMR) produced against sulfamerazine, was carried out by comparative molecular field analysis (CoMFA).
Congming Wu, Haiyang Jiang, Jianzhong Shen, Linli Cheng, Ross C. Beier, Xingyuan Cao, Xinling Yang, Zhanhui Wang, Zhenpeng Kai   +8 more
core   +1 more source

QSAR study for carcinogenicity in a large set of organic compounds [PDF]

, 2012
In our continuing efforts to find out acceptable Absorption, Distribution, Metabolization, Elimination and Toxicity (ADMET) properties of organic compounds, we establish linear QSAR models for the carcinogenic potential prediction of 1464 compounds taken
Castro, Eduardo Alberto, Comelli, Nieves Carolina, Duchowicz, Pablo Román, Ortiz, Erlinda del Valle   +3 more
core   +2 more sources

Decrypting cancer's spatial code: from single cells to tissue niches

Molecular Oncology, EarlyView.
Spatial transcriptomics maps gene activity across tissues, offering powerful insights into how cancer cells are organised, switch states and interact with their surroundings. This review outlines emerging computational, artificial intelligence (AI) and geospatial approaches to define cell states, uncover tumour niches and integrate spatial data with ...
Cenk Celik, Shi Pan, Eloise Withnell, Hou Wang Lam, Maria Secrier   +4 more
wiley   +1 more source

Modeling of the Acute Toxicity of Benzene Derivatives by Complementary QSAR Methods [PDF]

, 2013
A data set containing acute toxicity values (96-h LC50) of 69 substituted benzenes for fathead minnow (Pimephales promelas) was investigated with two Quantitative Structure- Activity Relationship (QSAR) models, either using or not using molecular ...
Bertinetto, Carlo, Duce, Celia, Héberger, Károly, Solaro, Roberto   +3 more
core