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Article
Open AccessTHOUSAND-GRAIN WEIGHT 6, which is an IAA-glucose hydrolase, preferentially recognizes the structure of the indole ring
An indole-3-acetic acid (IAA)-glucose hydrolase, THOUSAND-GRAIN WEIGHT 6 (TGW6), negatively regulates the grain weight in rice. TGW6 has been used as a target for breeding increased rice yield. Moreover, the a...
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Article
Open AccessA new workflow for the effective curation of membrane permeability data from open ADME information
Membrane permeability is an in vitro parameter that represents the apparent permeability (Papp) of a compound, and is a key absorption, distribution, metabolism, and excretion parameter in drug development. Al...
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Article
Open AccessAI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data
Develo** compounds with novel structures is important for the production of new drugs. From an intellectual perspective, confirming the patent status of newly developed compounds is essential, particularly f...
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Article
Open AccessIdentification of novel inhibitors of Keap1/Nrf2 by a promising method combining protein–protein interaction-oriented library and machine learning
Protein–protein interactions (PPIs) are prospective but challenging targets for drug discovery, because screening using traditional small-molecule libraries often fails to identify hits. Recently, we developed...
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Article
Open AccessMechanism of hERG inhibition by gating-modifier toxin, APETx1, deduced by functional characterization
Human ether-à-go-go-related gene potassium channel 1 (hERG) is a voltage-gated potassium channel, the voltage-sensing domain (VSD) of which is targeted by a gating-modifier toxin, APETx1. APETx1 is a 42-residue p...
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Article
Open AccessA prospective compound screening contest identified broader inhibitors for Sirtuin 1
Potential inhibitors of a target biomolecule, NAD-dependent deacetylase Sirtuin 1, were identified by a contest-based approach, in which participants were asked to propose a prioritized list of 400 compounds f...
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Open AccessAn iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes
We propose a new iterative screening contest method to identify target protein inhibitors. After conducting a compound screening contest in 2014, we report results acquired from a contest held in 2015 in this ...
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Article
Open AccessIdentification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target
A search of broader range of chemical space is important for drug discovery. Different methods of computer-aided drug discovery (CADD) are known to propose compounds in different chemical spaces as hit molecul...
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Article
Open AccessAssessing the druggability of protein-protein interactions by a supervised machine-learning method
Protein-protein interactions (PPIs) are challenging but attractive targets of small molecule drugs for therapeutic interventions of human diseases. In this era of rapid accumulation of PPI data, there is great...
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Article
Open AccessUniversal partitioning of the hierarchical fold network of 50-residue segments in proteins
Several studies have demonstrated that protein fold space is structured hierarchically and that power-law statistics are satisfied in relation between the numbers of protein families and protein folds (or supe...
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Article
Open AccessProtein-segment universe exhibiting transitions at intermediate segment length in conformational subspaces
Many studies have examined rules governing two aspects of protein structures: short segments and proteins' structural domains. Nevertheless, the organization and nature of the conformational space of segments ...
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Open AccessAn integrative in silico approach for discovering candidates for drug-targetable protein-protein interactions in interactome data
Protein-protein interactions (PPIs) are challenging but attractive targets for small chemical drugs. Whole PPIs, called the 'interactome', have been emerged in several organisms, including human, based on the ...
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Article
Developmental changes in the functional, biochemical and molecular properties of rat bladder endothelin receptors
The effect of aging on functional, biochemical, anatomical and molecular properties of endothelin (ET) receptors in bladder smooth muscle of the 3-week-, 3-month- and 22-month-old rats was examined using isola...
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Article
The effect of castration on endothelins, their receptors and endothelin converting enzyme in rat prostate
We previously have shown that experimental diabetes in rats causes prostatic involution, reduces serum testosterone levels, and causes an upregulation in prostatic endothelin (ET) receptors. Furthermore, insu...
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Expression of endothelin receptor subtypes and their messenger RNAs in diabetic rat prostate: Effect of insulin treatment
Streptozotocin (STZ)-induced diabetes causes an upregulation in the expression of endothelin (ET) receptors in the rat prostate (Eur J Pharmacol 310:197, 1996). We examined the effects of insulin treatment, st...
