排序方式: 共有17条查询结果,搜索用时 27 毫秒
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Chanin PotisookMayuree Natenapit 《Physica B: Condensed Matter》2012,407(4):598-605
The higher-order dielectric responses of composites composed of weakly nonlinear elliptic cylindrical inclusions randomly embedded in linear media are investigated. The general formulae for effective DC coefficients are newly derived by the average field method up to the ninth order and then applied to analyze the effects of inclusion shapes on the effective response. The results are directly transformed to the quasi-static AC response of the composites under the sinusoidal external electric field with fundamental and third harmonic frequencies. The more general relationships between the effective DC and AC coefficients are established up to the seventh order and third harmonic, which are applicable to all weakly nonlinear isotropic composites. 相似文献
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Malik Aijaz Ahmad Ojha Suvash Chandra Schaduangrat Nalini Nantasenamat Chanin 《Molecular diversity》2022,26(1):467-487
Molecular Diversity - Alzheimer’s disease (AD) is one of the most common forms of dementia and is associated with a decline in cognitive function and language ability. The deficiency of the... 相似文献
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Malik Aijaz Ahmad Chotpatiwetchkul Warot Phanus-umporn Chuleeporn Nantasenamat Chanin Charoenkwan Phasit Shoombuatong Watshara 《Journal of computer-aided molecular design》2021,35(10):1037-1053
Journal of Computer-Aided Molecular Design - Fast and accurate identification of inhibitors with potency against HCV NS5B polymerase is currently a challenging task. As conventional experimental... 相似文献
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New insights in the activation of human cholesterol esterase to design potent anti-cholesterol drugs
Shalini John Sundarapandian Thangapandian Prettina Lazar Minky Son Chanin Park Keun Woo Lee 《Molecular diversity》2014,18(1):119-131
Primary hypercholesterolemia is the root cause for major health issues like coronary heart disease and atherosclerosis. Regulating plasma cholesterol level, which is the product of biosynthesis as well as dietary intake, has become one of the major therapeutic strategies to effectively control these diseases. Human cholesterol esterase (hCEase) is an interesting target involved in the regulation of plasma cholesterol level and thus inhibition of this enzyme is highly effective in the treatment of hypercholesterolemia. This study was designed to understand the activation mechanism that enables the enzyme to accommodate long chain fatty acids and to identify the structural elements for the successful catalysis. Primarily the activation efficiencies of three different bile salts were studied and compared using molecular dynamics simulations. Based on the conformations of major surface loops, hydrogen bond interactions, and distance analyses, taurocholate was concluded as the preferred activator of the enzyme. Furthermore, the importance of two bile salt binding sites (proximal and remote) and the crucial role of $7\upalpha $ -OH group of the bile salts in the activation of hCEase was examined and evidenced. The results of our study explain the structural insights of the activation mechanism and show the key features of the bile salts responsible for the enzyme activation which are very useful in hypolipidemic drug designing strategies. 相似文献
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Chanin Nantasenamat Hao Li Prasit Mandi Apilak Worachartcheewan Teerawat Monnor Chartchalerm Isarankura-Na-Ayudhya Virapong Prachayasittikul 《Molecular diversity》2013,17(4):661-677
Aromatase, a rate-limiting enzyme catalyzing the conversion of androgen to estrogen, is overexpressed in human breast cancer tissue. Aromatase inhibitors (AIs) have been used for the treatment of estrogen-dependent breast cancer in post-menopausal women by blocking the biosynthesis of estrogen. The undesirable side effects in current AIs have called for continued pursuit for novel candidates with aromatase inhibitory properties. This study explores the chemical space of all known AIs as a function of their physicochemical properties by means of univariate (i.e., statistical and histogram analysis) and multivariate (i.e., decision tree and principal component analysis) approaches in order to understand the origins of aromatase inhibitory activity. Such a non-redundant set of AIs spans a total of 973 compounds encompassing both steroidal and non-steroidal inhibitors. Substructure analysis of the molecular fragments provided pertinent information on the structural features important for ligands providing high and low aromatase inhibition. Analyses were performed on data sets stratified according to their structural scaffolds (i.e., steroids and non-steroids) and bioactivities (i.e., actives and inactives). These analyses have uncover a set of rules characteristic to active and inactive AIs as well as revealing the constituents giving rise to potent aromatase inhibition. 相似文献
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Taweesak Tangrodchanapong Nilubon Sornkaew Laphatrada Yurasakpong Nakorn Niamnont Chanin Nantasenamat Prasert Sobhon Krai Meemon 《Molecules (Basel, Switzerland)》2021,26(8)
The pathological finding of amyloid-β (Aβ) aggregates is thought to be a leading cause of untreated Alzheimer’s disease (AD). In this study, we isolated 2-butoxytetrahydrofuran (2-BTHF), a small cyclic ether, from Holothuria scabra and demonstrated its therapeutic potential against AD through the attenuation of Aβ aggregation in a transgenic Caenorhabditis elegans model. Our results revealed that amongst the five H. scabra isolated compounds, 2-BTHF was shown to be the most effective in suppressing worm paralysis caused by Aβ toxicity and in expressing strong neuroprotection in CL4176 and CL2355 strains, respectively. An immunoblot analysis showed that CL4176 and CL2006 treated with 2-BTHF showed no effect on the level of Aβ monomers but significantly reduced the toxic oligomeric form and the amount of 1,4-bis(3-carboxy-hydroxy-phenylethenyl)-benzene (X-34)-positive fibril deposits. This concurrently occurred with a reduction of reactive oxygen species (ROS) in the treated CL4176 worms. Mechanistically, heat shock factor 1 (HSF-1) (at residues histidine 63 (HIS63) and glutamine 72 (GLN72)) was shown to be 2-BTHF’s potential target that might contribute to an increased expression of autophagy-related genes required for the breakdown of the Aβ aggregate, thus attenuating its toxicity. In conclusion, 2-BTHF from H. scabra could protect C. elegans from Aβ toxicity by suppressing its aggregation via an HSF-1-regulated autophagic pathway and has been implicated as a potential drug for AD. 相似文献
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Illuminating the origins of spectral properties of green fluorescent proteins via proteochemometric and molecular modeling 下载免费PDF全文
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