15 Result(s)
within
**ang-ning Lu
Chemistry
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Article
Effect of dodecylsulfate binding on the activity of creatine kinase
The number of lithium dodecylsulfate (LDS) molecules tightly bound to creatine kinase has been found by isotachophoresis to be 87 at 25°C upon saturation of the enzyme dimer with LDS. The binding shows positiv...
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Pharmacokinetic and Pharmacodynamic Interactions of Ethanol and Propofol in Rabbits
Propofol is a short-acting intravenous anesthetic which is rapidly metabolized by glucuronidation and ring hydroxylation catalyzed by cytochrome P450. In clinical trials, it was found that patients receiving b...
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Article
Determination of Five Polyphenols by HPLC/DAD and Discrimination of Apple Varieties
The objective of this study was to set up a method to detect five compounds in fresh smashed apples by HPLC/DAD simultaneously. Different methods have been tested to control browning and ascorbic acid with ult...
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Open AccessChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation
Molecular descriptors and fingerprints have been routinely used in QSAR/SAR analysis, virtual drug screening, compound search/ranking, drug ADME/T prediction and other drug discovery processes. Since the calc...
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TargetNet: a web service for predicting potential drug–target interaction profiling via multi-target SAR models
Drug–target interactions (DTIs) are central to current drug discovery processes and public health fields. Analyzing the DTI profiling of the drugs helps to infer drug indications, adverse drug reactions, drug–...
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Open AccessBioTriangle: a web-accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions
More and more evidences from network biology indicate that most cellular components exert their functions through interactions with other cellular components, such as proteins, DNAs, RNAs and small molecules. ...
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Adsorption and Dissociation of H2 on Cluster Al6N
Adsorption and dissociation of H2 on cluster Al6N are investigated based on density functional theory with generalized gradient approximation. The stable geometrical structures of both reactants and products, as ...
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Open AccessChemSAR: an online pipelining platform for molecular SAR modeling
In recent years, predictive models based on machine learning techniques have proven to be feasible and effective in drug discovery. However, to develop such a model, researchers usually have to combine multipl...
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Synthesis, crystal structures, adsorption and fluorescence properties of coordination polymers based on a semirigid octadentate ligand
Using an octadentate ligand, namely tetrakis[(3,5-dicarboxyphenoxy)methyl] methane (H8L), four coordination polymers, [Ni3L(OH)2(H2O)2][NH2(CH3)2]4·5H2O (1), [Co4L(H2O)4]·9H2O (2), [Zn4L(H2O)4]·DMF·11H2O (3) and ...
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Article
Biosynthesis of miglitol intermediate 6-(N-hydroxyethyl)-amino-6-deoxy-α-l-sorbofuranose by an improved d-sorbitol dehydrogenase from Gluconobacter oxydans
Adaptable exploitation of the catalytic potential of membrane-bound d-sorbitol dehydrogenase (mSLDH) from Gluconobacter oxydans is desperately needed in the industrial-scale production of miglitol. In the present...
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Open AccessADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database
Current pharmaceutical research and development (R&D) is a high-risk investment which is usually faced with some unexpected even disastrous failures in different stages of drug discovery. One main reason for R...
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Open AccessHAMdb: a database of human autophagy modulators with specific pathway and disease information
Autophagy is an important homeostatic cellular recycling mechanism responsible for degrading unnecessary or dysfunctional cellular organelles and proteins in all living cells. In addition to its vital homeosta...
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Theoretical study on the activation of C-H bond in ethane by PdX+ (X = F, Cl, Br, H, and CH3) in the gas phase
The mechanism of C-H bond activation of ethane was catalyzed by palladium halide cations (PdX+ (X = F, Cl, Br, H, and CH3)), which was investigated using density functional theory (DFT) at B3LYP level. The reacti...
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Article
Effect and Mechanism of Solvent Properties on Solution Behavior and Films Condensed State Structure for the Semi-rigid Conjugated Polymers
Solvents have an essential association with polymer solution behavior. However, few researches have been deeply done on this respect. In recent years, our research group focus on the study on effect of solvent...
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Article
Open AccessMachine learning to predict metabolic drug interactions related to cytochrome P450 isozymes
Drug–drug interaction (DDI) often causes serious adverse reactions and thus results in inestimable economic and social loss. Currently, comprehensive DDI evaluation has become a major challenge in pharmaceutic...
