Results 91 to 100 of about 400,566 (302)

An integrated quantitative structure and mechanism of action-activity relationship model of human serum albumin binding [PDF]

, 2019
Traditional quantitative structure-activity relationship models usually neglect the molecular alterations happening in the exposed systems (the mechanism of action, MOA), that mediate between structural properties of compounds and phenotypic effects of ...
Önlü, Serti, Coretto, Pietro, Greco, Dario, Serra, Angela, Önlü, Serli   +4 more
core   +1 more source

Quantitative proteomic analysis reveals different characteristics of bladder cancer cells after exposure to bisphenol A

FEBS Open Bio, EarlyView.
Bisphenol A (BPA), a common chemical in plastics, exerts dual effects on bladder cancer cells: low doses promote growth and migration, while high doses suppress growth and migration. Multi‐omics and bioinformatics reveal BPA acts via MAPK and inflammatory pathways.
Shaomin Niu, Lanlan Li, Wenjuan Jia, Hanzhong Feng, Xiaoquan Yu, Youli Zhao, Fengzhi Yuan, Hui Ding, Junqiang Tian, Yong‐Xing He, Zhiping Wang   +10 more
wiley   +1 more source

Recent Advances in Omics, Computational Models, and Advanced Screening Methods for Drug Safety and Efficacy

Toxics
It is imperative to comprehend the mechanisms that underlie drug toxicity in order to enhance the efficacy and safety of novel therapeutic agents. The capacity to identify molecular pathways that contribute to drug-induced toxicity has been significantly
Ahrum Son, Jongham Park, Woojin Kim, Yoonki Yoon, Sangwoon Lee, Jaeho Ji, Hyunsoo Kim   +6 more
doaj   +1 more source

Antibacterial Properties of Polyphenols: Characterization and QSAR (Quantitative Structure–Activity Relationship) Models

Frontiers in Microbiology, 2019
Besides their established antioxidant activity, many phenolic compounds may exhibit significant antibacterial activity. Here, the effect of a large dataset of 35 polyphenols on the growth of 6 foodborne pathogenic or food-spoiling bacterial strains ...
Lynda Bouarab-Chibane, Valérian Forquet, Pierre Lantéri, Yohann Clément, Lucie Léonard-Akkari, Nadia Oulahal, Pascal Degraeve, Claire Bordes, Claire Bordes   +8 more
doaj   +1 more source

Quantitative Structure – Activity Relationship Study on Saponins as Cytotoxicity Enhancers

, 2014
International audienceSaponins enhance the cytotoxicity of the type I ribosome-inactivating protein (RIP-I) saporin. In the present study, the synergistic cytotoxicity of nine newly isolated gypsogenin-containing saponins from Gypsophila trichotoma in ...
Voutguenne-Nazabadioko, Laurence, Gevrenova, Reneta, Weng, Alexander, Thakur, Mayank, Doytchinova, Irini   +4 more
core   +1 more source

Quantitative structure-activity relationship models with receptor-dependent descriptors for predicting peroxisome proliferator-activated receptor activities of thiazolidinedione and oxazolidinedione derivatives [PDF]

, 2009
A quantitative structure–activity relationship study has been carried out, in which the relationship between the peroxisome proliferator-activated receptor a and the peroxisome proliferator activated receptor c agonistic activities of thiazo ...
Fernandes, Miguel X., Kairys, Visvaldas, Lather, Viney   +2 more
core   +1 more source

Large‐scale bidirectional arrayed genetic screens identify OXR1 and EMC4 as modifiers of αSynuclein aggregation

FEBS Open Bio, EarlyView.
Activation of the mitochondrial protein OXR1 increases pSyn129 αSynuclein aggregation by lowering ATP levels and altering mitochondrial membrane potential, particularly in response to MSA‐derived fibrils. In contrast, ablation of the ER protein EMC4 enhances autophagic flux and lysosomal clearance, broadly reducing α‐synuclein aggregates.
Sandesh Neupane, Lea Nikolić, Lorenzo Maraio, Thomas Goiran, Nathan Karpilovsky, Stefano Sellitto, Vangelis Bouris, Jiang‐An Yin, Ronald Melki, Edward A Fon, Adriano Aguzzi, Elena De Cecco   +11 more
wiley   +1 more source

Quantitative Structure-Activity Relationship Studies for Potential Rho-Associated Protein Kinase Inhibitors

Journal of Chemistry, 2016
A series of pyridylthiazole derivatives developed by Lawrence et al. as Rho-associated protein kinase inhibitors were subjected to four-dimensional quantitative structure-activity relationship (4D-QSAR) analysis.
Giovanna Cardoso Gajo, Tamiris Maria de Assis, Letícia Cristina Assis, Teodorico Castro Ramalho, Elaine Fontes Ferreira da Cunha   +4 more
doaj   +1 more source

Early‐life high‐fat diet exposure increases Achilles tendon stiffness and induces transcriptomic alterations

FEBS Open Bio, EarlyView.
Early‐life exposure to a high‐fat diet altered intact Achilles tendons in rat offspring, making them thinner, stiffer, and molecularly distinct even without injury. These findings suggest that developmental high‐fat diet exposure may impair tendon quality and increase susceptibility to mechanical overload or tendon injury later in life.
Heyong Yin, Ziyang Yuan, Wenli Jiang, Ai Guo   +3 more
wiley   +1 more source

Directed evolution of enzymes at the crossroads of tradition and innovation

FEBS Open Bio, EarlyView.
An iterative cycle of data‐driven enzyme optimization comprising four stages: genetic diversification of a template enzyme, expression of protein variants, high‐throughput evaluation, and machine‐learning‐guided redesign of the next variant library.
Maria Tomkova, Andrej Mirossay, Erik Sedlak   +2 more
wiley   +1 more source