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在“Elsevier电子期刊”中，命中：1,531条，耗时：0.1349366 秒

在所有数据库中总计命中：12,868条

1.A DFT study on the structure-reactivity relationship of aliphatic oxime derivatives as copper chelating agents and malachite flotation collectors

作者：Xianglin Yang ; Sheng Liu ; Guangyi Liu ; ^{guangyiliu@csu.edu.cn} ; Hong Zhong

关键词：Aliphatic oxime derivatives ; Copper oxide mineral ; Structure&ndash ; reactivity relationship ; Density functional theory ; Interaction energy

刊名：Journal of Industrial and Engineering Chemistry

出版年：2017

2.Discovery of high-affinity BCL6-binding peptide and its structure-activity relationship

作者：Kotaro Sakamoto ; ¹ ; ^{koutarou.sakamoto@takeda.com} ; Satoshi Sogabe¹ ; Yusuke Kamada ; Nozomu Sakai ; Kouhei Asano ; Mie Yoshimatsu ; Kou Ida ; Yasuhiro Imaeda ; Jun-ichi Sakamoto

关键词：BCL6 ; PPI ; Peptide ; Phage display

刊名：Biochemical and Biophysical Research Communications

出版年：2017

3.Structure-activity relationship-based screening of antibiotics against Gram-negative Acinetobacter baumannii

作者：Jee-Young Lee^a ; ^c ; Min-Cheol Jeong^b ; ^c ; Dasom Jeon^b ; Yeongjun Lee^b ; Woo Cheol Lee^b ; Yangmee Kim^b ; ^{ymkim@konkuk.ac.kr}

关键词：KAS ; Fatty acid synthesis ; Antibiotics ; In silico screening ; Gram-negative bacteria

刊名：Bioorganic & Medicinal Chemistry

出版年：2017

4.New N- and O-arylpiperazinylalkyl pyrimidines and 2-methylquinazolines derivatives as 5-HT₇ and 5-HT_1A receptor ligands: Synthesis, structure-activity relationships, and molecular modeling studies

作者：Sebastiano Intagliata^a ; ¹ ; ^{s.intagliata@studium.unict.it} ; Maria N. Modica^a ; ¹ ; Valeria Pittalà ; ^a ; Loredana Salerno^a ; Maria A. Siracusa^a ; Alfredo Cagnotto^b ; Mario Salmona^b ; Rafał Kurczab^c ; Giuseppe Romeo^a

关键词：5-HT7 receptor ligands ; 5-HT1A receptor ligands ; Long-chain arylpiperazines ; Molecular modeling

刊名：Bioorganic & Medicinal Chemistry

出版年：2017

5.Quantitative structure-activity relationship and molecular docking studies of a series of quinazolinonyl analogues as inhibitors of gamma amino butyric acid aminotransferase

作者：Usman Abdulfatai ; ^{faithyikare4me@gmail.com} ; Adamu Uzairu ; Sani Uba

关键词：QSAR method ; Gamma aminobutyric acid aminotransferase ; Molecular docking ; Density functional theory ; Anticonvulsant ; Genetic function algorithm

刊名：Journal of Advanced Research

出版年：2017

6.Development of predictive models for predicting binding affinity of endocrine disrupting chemicals to fish sex hormone-binding globulin

作者：Huihui Liu^a ; ^{hhliu@njust.edu.cn} ; Xianhai Yang^b ; ^{xhyang@nies.org} ; Cen Yin^a ; Mengbi Wei^a ; Xiao He^a

关键词：Endocrine disrupting chemicals (EDCs) ; Fish sex hormone-binding globulin (fSHBG) ; Quantitative structure-activity relationship (QSAR) ; Classification model ; Relative binding affinity (RBA)

刊名：Ecotoxicology and Environmental Safety

出版年：2017

7.X-ray structure based evaluation of analogs of citalopram: Compounds with increased affinity and selectivity compared with R-citalopram for the allosteric site (S2) on hSERT

作者：Sid Topiol^a ; ^{sid.topiol@3D-2drug.com} ; Benny Bang-Andersen^b ; Connie Sanchez^c ; Per Plenge^d ; Claus J. Loland^d ; Karsten Juhl^b ; Krestian Larsen^b ; Peter Bregnedal^e ; Klaus P. Bø ; gesø ; ^e

关键词：SERT ; serotonin transporter ; DAT ; dopamine transporter ; NAT ; noradrenaline transporter ; NSS ; neurotransmitter ; sodium symporter ; SSRI ; selective serotonin reuptake inhibitor ; TCA ; tricyclic antidepressant ; dDAT ; Drosophila melanogaster DAT ; LeuT ; leucine transporter

刊名：Bioorganic & Medicinal Chemistry Letters

出版年：2017

8.Structure activity relationships of benzylproline-derived inhibitors of the glutamine transporter ASCT2

作者：Kurnvir Singh^a ; Rose Tanui^a ; Armanda Gameiro^a ; ¹ ; Gilad Eisenberg^a ; Claire Colas^b ; Avner Schlessinger^b ; Christof Grewer^a ; ^{cgrewer@binghamton.edu}

关键词：Neutral amino acid transporter ; ASCT2 ; Inhibitors ; Glutamine transport ; Kinetics ; Patch clamp ; Pharmacology

刊名：Bioorganic & Medicinal Chemistry Letters

出版年：2017

9.Fetal bovine serum influences the stability and bioactivity of resveratrol analogues: A polyphenol-protein interaction approach

作者：Fen Tang^a ; Yixi Xie^a ; Hui Cao^b ; Hua Yang^a ; Xiaoqing Chen^a ; ^{xqchen@csu.edu.cn" class="auth_mail" title="E-mail the corresponding author} ; Jianbo Xiao^b ; ^c ; ^{jianboxiao@yahoo.com" class="auth_mail" title="E-mail the corresponding author}

关键词：Resveratrol analogues ; Fetal bovine serum ; Structure-affinity relationship ; Free radical scavenging activity ; Stability

刊名：Food Chemistry

出版年：2017

10.Estimation of the receptor-state affinity constants of ligands in functional studies using wild type and constitutively active mutant receptors: Implications for estimation of agonist bias

作者：Frederick J. Ehlert^a ; ^b ; ^{fjehlert@uci.edu} ; Richard S.L. Stein^b

关键词：Receptor state affinity constants ; Constitutive activity ; Agonist bias ; System bias ; Monod-Wyman-Changeux model ; Observed affinity ; Efficacy ; Receptor activation ; Active state ; Inactive state

刊名：Journal of Pharmacological and Toxicological Methods

出版年：2017

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