The SMD solvation model (Solvation Model based on the Density) and eight density functionals, CAM-B3LYP, LC-ωPBE, M11, MN12SX, N12SX, ωB97, ωB97X, and ωB97XD, were assessed in link with the Def2TZVP basis set for ...The SMD solvation model (Solvation Model based on the Density) and eight density functionals, CAM-B3LYP, LC-ωPBE, M11, MN12SX, N12SX, ωB97, ωB97X, and ωB97XD, were assessed in link with the Def2TZVP basis set for the calculation of the structure of the Leu-Enkephalin Opioid Peptide Neurotransmitter as well as their molecular properties. Through the Conceptual Density Functional Theory (CDFT), the entire chemical descriptors for the system were calculated. The active regions of the molecules necessary for electrophilic, nucleophilic and radical attacks were chosen through linking them with the corresponding Fukui functions. Furthermore, the prediction of the pKa value for the peptide is done with great accuracy as well as the ability of the studied molecule in acting as an efficient inhibitor of the formation of Advanced Glycation Endproducts (AGEs), which comprises of a useful knowledge for the development of drugs for preventing Alzheimer, Diabetes and Parkinson diseases. Lastly, the bioactivity scores for the studied peptides are predicted via various methodologies.展开更多
Acupuncture can modulate immune responses and thus produce good therapeutical results when used as an subsidiary measure to treat some infectious diseases, tumors and unbalanced immune functions. ZHAO et al. held that...Acupuncture can modulate immune responses and thus produce good therapeutical results when used as an subsidiary measure to treat some infectious diseases, tumors and unbalanced immune functions. ZHAO et al. held that endogenous opiates participate in the modulation of immune responses by acupuncture. It has been reported abroad展开更多
The present is aimed at the effects of electro-acupuncture (EA) on endogenous opioidpeptides’ (EPOs) contents in the aged rat brain and pituitary in order to further expound the anti-ag-ing mechanism of acupuncture. ...The present is aimed at the effects of electro-acupuncture (EA) on endogenous opioidpeptides’ (EPOs) contents in the aged rat brain and pituitary in order to further expound the anti-ag-ing mechanism of acupuncture. The results show that the 5-endorphin (5-EP) contents in the aged rathypothalamus and pituitary are significantly higher than those in the young rats and lower in hippocampus, and leuenkephalin (LEK) levels are also higher in the aged rat hippocampus and striatumthan those in the young rats. In the aged rats that received the EA stimulations, the β-EP contents inthe hypothalamus, pituitary, and the LEK level in the striatum are decreased sigrijficantly and the β-EP contents is increased in the hippocampus, The results suggest that the aging delaying effects ofacupuncture may be reached partly through modifying the age-related changes of EOPs’ secretion inthe rat brain and pituitary.展开更多
文摘The SMD solvation model (Solvation Model based on the Density) and eight density functionals, CAM-B3LYP, LC-ωPBE, M11, MN12SX, N12SX, ωB97, ωB97X, and ωB97XD, were assessed in link with the Def2TZVP basis set for the calculation of the structure of the Leu-Enkephalin Opioid Peptide Neurotransmitter as well as their molecular properties. Through the Conceptual Density Functional Theory (CDFT), the entire chemical descriptors for the system were calculated. The active regions of the molecules necessary for electrophilic, nucleophilic and radical attacks were chosen through linking them with the corresponding Fukui functions. Furthermore, the prediction of the pKa value for the peptide is done with great accuracy as well as the ability of the studied molecule in acting as an efficient inhibitor of the formation of Advanced Glycation Endproducts (AGEs), which comprises of a useful knowledge for the development of drugs for preventing Alzheimer, Diabetes and Parkinson diseases. Lastly, the bioactivity scores for the studied peptides are predicted via various methodologies.
文摘Acupuncture can modulate immune responses and thus produce good therapeutical results when used as an subsidiary measure to treat some infectious diseases, tumors and unbalanced immune functions. ZHAO et al. held that endogenous opiates participate in the modulation of immune responses by acupuncture. It has been reported abroad
文摘The present is aimed at the effects of electro-acupuncture (EA) on endogenous opioidpeptides’ (EPOs) contents in the aged rat brain and pituitary in order to further expound the anti-ag-ing mechanism of acupuncture. The results show that the 5-endorphin (5-EP) contents in the aged rathypothalamus and pituitary are significantly higher than those in the young rats and lower in hippocampus, and leuenkephalin (LEK) levels are also higher in the aged rat hippocampus and striatumthan those in the young rats. In the aged rats that received the EA stimulations, the β-EP contents inthe hypothalamus, pituitary, and the LEK level in the striatum are decreased sigrijficantly and the β-EP contents is increased in the hippocampus, The results suggest that the aging delaying effects ofacupuncture may be reached partly through modifying the age-related changes of EOPs’ secretion inthe rat brain and pituitary.
