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Elsevier电子期刊(975)

在“Elsevier电子期刊”中，命中：975条，耗时：0.078962 秒

在所有数据库中总计命中：1,089条

1.QSAR study and molecular docking of benzimidazole derivatives as potent activators of AMP-activated protein kinase

作者：Nidal Naceiri Mrabti^a ; ^{nidal.naceirimrabti@usmba.ac.ma} ; Menana Elhallaoui^b

关键词：REA (relative enzyme activity) ; Benzimidazole derivatives ; Quantitative structure&ndash ; activity relationship (QSAR) ; Multiple linear regression (MLR) ; Neural network (NN) ; Molecular docking

刊名：Journal of Taibah University for Science

出版年：2017

2.Interaction between 8-methoxypsoralen and trypsin: Monitoring by spectroscopic, chemometrics and molecular docking approaches

作者：Yingying Liu ; Guowen Zhang ; ^{gwzhang@ncu.edu.cn} ; Ni Zeng ; Song Hu

关键词：Trypsin ; 8-Methoxypsoralen ; Multiple spectroscopy ; MCR&ndash ; ALS method ; Molecular docking

刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

出版年：2017

3.Synthesis, spectral characterization, DFT calculations, antimicrobial activity and molecular docking of 4-bromo-2-((2-hydroxy-5-methylphenylimino)methyl)phenol and its V(V) complex

作者：Reza Takjoo^a ; ^{rezatakjoo@yahoo.com} ; ; Alireza Akbari^b ; S. Yousef Ebrahimipour^b ; ^c ; Maciej Kubicki^d ; Maryam Mohamadi^e ; Nasrin Mollania^f

关键词：ONO Schiff base ; Oxido-vanadium(V) ; DFT calculation ; Crystal structure ; TGA ; Antimicrobial activity ; Molecular docking

刊名：Inorganica Chimica Acta

出版年：2017

4.Synthesis, crystal structure analysis, spectral (NMR, FT-IR, FT-Raman and UV-Vis) investigations, molecular docking studies, antimicrobial studies and quantum chemical calculations of a novel 4-chloro-8-methoxyquinoline-2(1H)-one: An effective antimicrobial agent and an inhibition of DNA gyrase and lanosterol-14α-demethylase enzymes

作者：S. Murugavel^a ; ^{smurugavel27@gmail.com} ; S. Sundramoorthy^b ; D. Lakshmanan^c ; R. Subashini^d ; P. Pavan Kumar^e

关键词：4-chloro-8-methoxyquinoline-2(1H)-one ; XRD ; Spectral ; DFT ; Antimicrobial activity ; Molecular docking

刊名：Journal of Molecular Structure

出版年：2017

5.Benzoflavones as cholesterol esterase inhibitors: Synthesis, biological evaluation and docking studies

作者：Harbinder Singh^a ; Jatinder Vir Singh^a ; Manish K. Gupta^b ; Palwinder Singh^c ; Sahil Sharma^a ; ^{ss.gq2009@gmail.com} ; Kunal Nepali^a ; ; Preet Mohinder S. Bedi^a ;

关键词：Benzoflavone ; Baker Venkataraman rearrangement ; Cholesterol esterase inhibition ; Enzyme kinetics ; Docking studies

刊名：Bioorganic & Medicinal Chemistry Letters

出版年：2017

6.ClusPro-DC: Dimer Classification by the Cluspro Server for Protein-Protein Docking

作者：Christine Yueh¹ ; David R. Hall² ; Bing Xia¹ ; Dzmitry Padhorny³ ; ⁴ ; Dima Kozakov¹ ; ³ ; ⁴ ; ^{midas@laufercenter.org} ; Sandor Vajda¹ ; ^vajda@bu.edu

关键词：PQS ; Protein Quaternary Structure ; PDB ; Protein Data Bank ; EPPIC ; Evolutionary Protein&ndash ; Protein Interface Classifier ; CAPRI ; Critical Assessment of Predicted Interactions ; IRMSD ; interface RMSD ; PISA ; Proteins ; Interfaces ; Structures and Assemblies

刊名：Journal of Molecular Biology

出版年：2017

7.Structural insights, protein-ligand interactions and spectroscopic characterization of isoformononetin

作者：Anubha Srivastava^a ; ^{anubhaphysics@gmail.com} ; ^{anubha1984@rediffmail.com} ; Harshita Singh^a ; Rashmi Mishra^b ; Kapil Dev^c ; Poonam Tandon^a ; ^{poonam_tandon@yahoo.co.uk} ; ^{poonam_tandon@hotmail.com} ; Rakesh Maurya^c

关键词：Isofomononetin ; FT-Raman ; FT-IR ; NMR ; UV&ndash ; vis spectra ; Molecular docking

刊名：Journal of Molecular Structure

出版年：2017

8.Synthesis, X-ray molecular structure, biological evaluation and molecular docking studies of some N⁴-benzyl substituted 5-nitroisatin-3-thiosemicarbazones

作者：Humayun Pervez^a ; ^{pdhpervez@hotmail.com} ; Nazia Khan^a ; Sumera Zaib^b ; Muhammad Yaqub^a ; Muhammad Moazzam Naseer^c ; Muhammad Nawaz Tahir^d ; Jamshed Iqbal^b ; ^{drjamshed@ciit.net.pk}

关键词：Cytotoxicity ; 5-Nitroisatin ; Phytotoxicity ; Thiosemicarbazones ; Urease inhibition ; Urease inhibitors

刊名：Bioorganic & Medicinal Chemistry

出版年：2017

9.Synthesis, anticholinesterase activity and molecular modeling study of novel carbamate-substituted thymol/carvacrol derivatives

作者：Belma Zengin Kurt^a ; Isil Gazioglu^b ; Aydan Dag^a ; Ramin Ekhteiari Salmas^c ; Gü ; lru Kayık^d ; Serdar Durdagi^c ; ^{serdar.durdagi@med.bau.edu.tr} ; Fatih Sonmez^e ; ^{fsonmez@sakarya.edu.tr}

关键词：Thymol ; Carvacrol ; Carbamate ; Alzheimer&rsquo ; s disease ; Molecular docking ; Molecular dynamics (MD) simulations ; MM-PBSA ; Induced fit docking (IFD)

刊名：Bioorganic & Medicinal Chemistry

出版年：2017

10.Anti-angiogenic potential of trypsin inhibitor purified from Cucumis melo seeds: Homology modeling and molecular docking perspective

作者：Hassan Rasouli^a ; Sharham Parvaneh^a ; Azadeh Mahnam^a ; Mohsen Rastegari-Pouyani^b ; Zohreh Hoseinkhani^a ; Kamran Mansouri^a ; ^{kmansouri@kums.ac.ir} ; ^{kamranmansouri@gmail.com}

关键词：BSA ; bovine serum albumin ; DMEM ; Dulbecco&rsquo ; s modified eagle&rsquo ; s medium ; BBI ; Bowman-Birk inhibitor ; ELISA ; enzyme-linked immunosorbent assay ; FBS ; fetal bovine serum ; HUVEC ; human umbilical vein endothelial cells ; LDH ; lactate dehydrogenase ; MTT ; 3-(4 ; 5-dimethylthiazol-2yl)-2 ; 5-diphenyl-2H-tetrazolium bromide ; PBS ; phosphate buffered saline ; PBST ; PBS containing tween 20 ; PDB ; protein data bank ; SDS-PAGE ; sodium dodecyl sulfate polyacrylamide gel electrophoresis ; TICMS ; trypsin inhibito

刊名：International Journal of Biological Macromolecules

出版年：2017

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