Results 51 to 60 of about 3,487,707 (291)

Evaluation of Vibrational, Electronic, Topology, Reactivity, Bioactivity, Bioavailability and Blood-Brain Barrier Score of 1-(2,6-dimethylphenoxy)propan-2-amine-A DFT, Spectro-scopic and Molecular Docking Approach

Analytical Chemistry Letters, 2022
Density functional theory (DFT) has become an integral technique when it comes to the arena of quantum mechanical calculations. Its credibility and effectiveness have been established, especially for organic compounds. Here, the vibrational and electronic characteristics of 1-(2,6-dimethylphenoxy)propan-2-amine are evaluated using density functional ...
George, Jacob, Prasana, Johanan Christian, Muthu, S., Kuruvilla, Tintu K, Saji, Rinnu Sara, George, Elizabeth   +5 more
openaire   +1 more source

Synthesis and in vitro activity tests of N-benzoyl-N’-phenylthiourea derivatives as macrophage migration inhibitory factor [PDF]

Journal of Pharmacy & Pharmacognosy Research, 2023
Context: The COVID-19 pandemic in 2020 resulted in widespread mortalities due to cytokine storms in the affected patients. Macrophage migration inhibitory factor (MIF) is one of the most interesting targets in developing anti-COVID-19 drugs.
Dini Kesuma, Galih S. Putra, Tegar A. Yuniarta, Farida Suhud, I G.A. Sumartha, Sawitri Boengas, Melanny I. Sulistyowaty, Tjie Kok   +7 more
doaj   +1 more source

Machine Learning Models for Estrogen Receptor Bioactivity and Endocrine Disruption Prediction.

Environmental Science and Technology, 2020
The U.S. Environmental Protection Agency (EPA) periodically releases in vitro data across a variety of targets, including the estrogen receptor (ER). In 2015, the EPA used this data to construct mathematical models of ER agonist and antagonist pathways ...
Kimberley M. Zorn, Daniel H. Foil, T. Lane, Daniel P. Russo, Wendy E Hillwalker, D. Feifarek, F. Jones, W. Klaren, Ashley M. Brinkman, S. Ekins   +9 more
semanticscholar   +1 more source

Influence of Brassica spp. rapeseed and canola meal, and supplementation of bioactive compound (AITC) on growth performance, intestinal-permeability, oocyst shedding, lesion score, histomorphology, and gene expression of broilers challenged with E. maxima

Poultry Science, 2022
This study was performed to investigate the effect of feeding Brassica spp. including full-fat rapeseed, canola meal, and allyl isothiocyanate (AITC) to broiler chicken challenged with E. maxima. A total of 576 one-day old male broiler chicks were completely randomized to 8 treatments with 6 replicated cages and 12 birds per cage.
S. Yadav, P.-Y. Teng, A.K. Singh, J. Choi, W.K. Kim   +4 more
openaire   +3 more sources

Toxicology of respiratory system: Profiling chemicals in PM10 for molecular targets and adverse outcomes

Environment International, 2022
Numerous studies have shown that the increasing trend of respiratory diseases have been closely associated with the endogenous toxic chemicals (polycyclic aromatic hydrocarbons, heavy metal ions, etc.) in PM10.
Junyu Wang, Yixia Zhang, Zhijun Zhang, Wancong Yu, Ang Li, Xin Gao, Danyu Lv, Huaize Zheng, Xiaohong Kou, Zhaohui Xue   +9 more
doaj   +1 more source

The relationship between the insulin-like growth factor-1 axis, weight loss, an inflammation-based score and survival in patients with inoperable non-small cell lung cancer [PDF]

, 2010
<b>Background & aims:</b> The involvement of a systemic inflammatory response, as evidenced by the Glasgow Prognostic Score (GPS), is associated with weight loss and poor outcome in patients with non-small cell lung cancer.
Forrest, L.M., McMillan, D.C., Meek, C.L., Wallace, A.M.   +3 more
core   +1 more source

Development and Characterization of Functional Cookies Enriched with Chestnut Shells Extract as Source of Bioactive Phenolic Compounds

Foods, 2023
Chestnut (Castanea sativa) shells (CSs), an undervalued agro-industrial biowaste, have arisen as a source of bioactive compounds with promising health-promoting effects.
Diana Pinto, M. Moreira, E. Vieira, J. Švarc-Gajić, A. Vallverdú-Queralt, Tanja Brezo-Borjan, C. Delerue-Matos, F. Rodrigues   +7 more
semanticscholar   +1 more source

Understanding Cytotoxicity and Cytostaticity in a High-Throughput Screening Collection. [PDF]

, 2016
While mechanisms of cytotoxicity and cytostaticity have been studied extensively from the biological side, relatively little is currently understood regarding areas of chemical space leading to cytotoxicity and cytostasis in large compound collections ...
Barrett, Ian P, Bender, Andreas, Cao, Qing, Engkvist, Ola, Firth, Mike A, Haddrick, Malcolm, McWilliams, Lisa, Mervin, Lewis H, Murray, David, Wigglesworth, Mark   +9 more
core   +8 more sources

Design and Bioactivity Evaluation of Chloro-Substituted Hydrazones

Proceedings
Aroylhydrazones, created by combining aromatic aldehydes and hydrazides, have numerous biological effects such as analgesic, anti-inflammatory, anticancer, antimicrobial, and antibacterial [...]
Boryana Nikolova-Mladenova
doaj   +1 more source

Evaluation of a Bayesian inference network for ligand-based virtual screening [PDF]

, 2009
Background Bayesian inference networks enable the computation of the probability that an event will occur. They have been used previously to rank textual documents in order of decreasing relevance to a user-defined query. Here, we modify the approach to
A Abdo, A Bender, AG Maldonado, AN Jain, AR Leach, AR Leach, Beining Chen, Christoph Mueller, CX Zhai, D Metzler, EJ Gardiner, EM Voorhees, G Salton, GW Bemis, H Eckert, H Turtle, J Bajorath, J Hert, J Hert, J-F Truchon, JA Grant, JD Holliday, JP Callan, JP Callan, JR Fischer, K Spärck Jones, K Spärck Jones, N Nikolova, P Prathipati, P Willett, P Willett, P Willett, P Willett, P Willett, Peter Willett, RC Glen, RD Brown, RP Sheridan, RP Sheridan, S Siegel, SJ Edgar, T Lengauer, T Strohman, TI Oprea, WR Greiff, X Chen   +45 more
core   +3 more sources