Metabolism of the synthetic progestogen norethynodrel by human ketosteroid reductases of the aldo–keto reductase superfamily

Y Jin, L Duan, M Chen, TM Penning… - The Journal of steroid …, 2012 - Elsevier
Human ketosteroid reductases of the aldo–keto reductase (AKR) superfamily, ie AKR1C1–4,
are implicated in the biotransformation of synthetic steroid hormones. Norethynodrel (NOR …

Structural perspective on the direct inhibition mechanism of EGCG on mammalian histidine decarboxylase and DOPA decarboxylase

MV Ruiz-Pérez, A Pino-Angeles… - Journal of chemical …, 2012 - ACS Publications
Histidine decarboxylase (HDC) and l-aromatic amino acid decarboxylase (DDC) are
homologous enzymes that are responsible for the synthesis of important neuroactive amines …

Discovering potent inhibitors against c-Met kinase: molecular design, organic synthesis and bioassay

Z Liang, X Ding, J Ai, X Kong, L Chen, L Chen… - Organic & …, 2012 - pubs.rsc.org
The receptortyrosine kinase c-Met is an attractive target for therapeutic treatment of cancers
nowadays. The discovery of small molecule inhibitors is of special interest in the blockade of …

Discovery of potential cyclooxygenase inhibitors using in silico docking studies

A Madeswaran, M Umamaheswari… - Bangladesh Journal of …, 2012 - banglajol.info
This study deals with the evaluation of the cyclooxygenase inhibitory activity of flavonoids
(tangeritin, morin, rhamnetin, theaflavin, pachypodol, eriodictyol, homoeriodictyol …

Fluorescence detection of ligand binding to labeled cytochrome P450 BM3

VEV Ferrero, G Di Nardo, G Catucci, SJ Sadeghi… - Dalton …, 2012 - pubs.rsc.org
The cytochrome P450 superfamily of monoxygenases are highly relevant for
pharmaceutical, environmental and biocatalytical applications. The binding of a substrate to …

On setting up and assessing docking simulations for virtual screening

J Biesiada, A Porollo, J Meller - Rational Drug Design: Methods and …, 2012 - Springer
Small molecule docking and virtual screening of candidate compounds have become an
integral part of drug discovery pipelines, complementing and streamlining experimental …

[HTML][HTML] BioFET-SIM web interface: Implementation and two applications

MR Hediger, JH Jensen, L De Vico - 2012 - journals.plos.org
We present a web interface which allows us to conveniently set up calculations based on the
BioFET-SIM model. With the interface, the signal of a BioFET sensor can be calculated …

Pathway-pathway network-based study of the therapeutic mechanisms by which salvianolic acid B regulates cardiovascular diseases

L Ye, Y He, H Ye, XP Liu, LL Yang, ZW Cao… - Chinese Science …, 2012 - Springer
Investigation of the potential therapeutic mechanisms of drug candidates is an essential step
in the process of new drug discovery. With the rapid development of systems biology, recent …

[HTML][HTML] In silico design, construction and cloning of Trastuzumab humanized monoclonal antibody: a possible biosimilar for Herceptin

S Akbarzadeh-Sharbaf, B Yakhchali… - Advanced Biomedical …, 2012 - journals.lww.com
Background: There is a novel hypothesis in that antibodies may have specificity for two
distinct antigens that have been named “dual specificity”. This hypothesis was evaluated for …

[引用][C] 基于通路关联网络研究丹酚酸B 治疗心血管疾病的机理

叶立, 何园, 叶浩, 刘雪平, 杨琳琳, 曹志伟, 唐凯临 - 科学通报, 2012