Results 71 to 80 of about 36,144 (247)

Substitued (E)-β-(benzoyl)acrylic acids suppressed survival of neoplastic human hela cells [PDF]

Journal of the Serbian Chemical Society, 1999
The bacteriostatic activity of some of alkyl substituted (E)-β-(benzoyl)acrylic acids was shown earlier. The aim of this study was to investigate the antiproliferative action of 19 alkyl-, or halogeno-, or methoxy-, or acetamido-substituted (E ...
Juranić Z., Stevović Lj., Drakulić B., Stanojković T., Radulović S., Juranić I.   +5 more
doaj   +1 more source

A Comprehensive Study to Compare Different Compound Representations for Predicting Carcinogenicity In Vivo

Journal of Applied Toxicology, EarlyView.
ABSTRACT Carcinogenicity evaluation is a critical component of chemical risk assessment, yet traditional in vivo testing remains time consuming, costly, and ethically challenging. Computational approaches based on machine learning offer promising alternatives, but the relative contributions of different molecular representation strategies for ...
Iuri Barbosa Pereira, Rogerio Salvini, Eloisa Dutra Caldas   +2 more
wiley   +1 more source

The acceptance of in silico models for REACH: Requirements, barriers, and perspectives [PDF]

, 2011
In silico models have prompted considerable interest and debate because of their potential value in predicting the properties of chemical substances for regulatory purposes.
Antonio Cassano, R. Gonella Diaza, Giuseppina Gini, Simon Pardoe, Rodolfo Gonella Diaza, Rodolfo Diaza, Knauf Ralf, Pardoe, Simon, Benighaus, Ludger, L. Benighaus, Cassano Antonio, A. Cassano, E. Benfenati, Mays, Claire, S. Pardoe, C. Mays, Ludger Benighaus, R. Knauf, Ralf Knauf, Benighaus Ludger, Gini Giuseppina, Emilio Benfenati, Knauf, Ralf, Claire Mays, Mays Claire, Benfenati Emilio, Gini, Giuseppina, Diaza Rodolfo, Gonella Diaza, Rodolfo, Cassano, Antonio, Benfenati, Emilio, Pardoe Simon   +31 more
core   +1 more source

N-Phenyl Ureidobenzenesulfonate derivatives as novel anticancer agents: QSAR and Molecular docking studies [PDF]

Trends in Pharmaceutical Sciences, 2017
DNA double strand-breaks (DSBs) are the most deleterious lesions that can affect the genome of living beings and are lethal if not quickly and properly repaired. Recently, N-phenyl ureidobenzenesulfonates (PUB-SOs) as tubulin inhibitors that are blocking
Masood Fereidoonnezhad, Azar Mostoufi, Fariba Aliyan   +2 more
doaj  

Prediction of the Blood-Brain Barrier Permeability Using RP-18 Thin Layer Chromatography

Open Chemistry, 2019
The Blood-Brain Barrier (BBB) permeability is an important factor governing a drug’s ability to act upon the Central Nervous System. The measure of the BBB permeability used throughout this study is the log BB (the blood/brain partitioning coefficient ...
Sobańska Anna W., Wanat Karolina, Brzezińska Elżbieta   +2 more
doaj   +1 more source

Ionic liquids: structure–toxicity relationships, predictive toxicology, and sustainable design

Journal of Chemical Technology &Biotechnology, EarlyView.
Abstract Ionic liquids (ILs) have often been described as green alternatives to conventional solvents because of their negligible vapor pressure and highly tunable properties. However, low volatility does not necessarily translate into environmental safety, as their biological and ecological effects are strongly influenced by molecular structure.
Letícia Zanchet, Letícia Guerreiro da Trindade, Monize Bürck, Gabriela Rosa dos Santos, Matheus Klein, Aryel Heitor Ferreira   +5 more
wiley   +1 more source

QSAR of progestogens: Use of a priori and computed molecular descriptors and molecular graphics

, 2015
Quantitative Structure-Activity Relationship (QSAR) study of two sets of oral progestogens was carried out by using Principal Component Analysis (PCA), Hierarchical Cluster Analysis (HCA) and Partial Least Squares (PLS). A priori, computed (at DFT 6-31G**
Kiralj, R, Takahata, Y, Ferreira, MMC
core   +1 more source

Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for acute toxicity to Daphnia magna. Q13-31-0060. 2010.

, 2020
This QSAR model corresponds to the QMRF Q13-31-0060 "QSAR for acute toxicity to Daphnia magna" from the JRC QSAR Model ...

core   +1 more source

QSAR prediction of toxicity for a new 1,2,4-triazole derivatives with 2-bromo-5-methoxyphenyl fragment

Aktualʹnì Pitannâ Farmacevtičnoï ì Medičnoï Nauki ta Praktiki
New derivatives of 1,2,4-triazole are promising research targets due to their unique biological properties, including antimicrobial, antifungal, antitumor, and antioxidant activities.
M. P. Skoryi, R. O. Shcherbyna
doaj   +1 more source

Paediatric developmental safety and the ICH E11A extrapolation of safety

British Journal of Clinical Pharmacology, EarlyView.
Gilbert J. Burckart, Susan M. Abdel‐Rahman, Gelareh Abulwerdi, Rebecca Racz, Sherbet Samuels, Dionna J. Green, Lynne P. Yao   +6 more
wiley   +1 more source