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在“Elsevier电子期刊”中，命中：975条，耗时：0.0349862 秒

在所有数据库中总计命中：5,461条

1.In vitro screening and in silico validation revealed key microbes for higher production of significant therapeutic enzyme l-asparaginase

作者：Archana Vimal ; Awanish Kumar ; ^{drawanishkr@gmail.com} ; ^{awanik.bt@nitrr.ac.in}

关键词：l-asparaginase ; Higher producer strains ; In vitro screening ; In silico validation ; Therapeutics

刊名：Enzyme and Microbial Technology

出版年：2017

2.Developing an in silico pipeline for faster drug candidate discovery: Virtual high throughput screening with the Signature molecular descriptor using support vector machine models

作者：Jonathan Jun Feng Chen^a ; Donald Patrick Visco Jr.^b

关键词：Virtual high throughput screening ; QSAR ; Drug discovery ; CAMD ; Signature

刊名：Chemical Engineering Science

出版年：2017

3.Computational proteome-wide screening predicts neurotoxic drug-protein interactome for the investigational analgesic BIA 10-2474

作者：Steven V. Molinski^a ; Vijay M. Shahani^a ; Stephen S. MacKinnon^a ; Leonard D. Morayniss^a ; Marcon Laforet^a ; Geoffrey Woollard^a ; Naheed Kurji^a ; Cecilia G. Sanchez^b ; Shoshana J. Wodak^a ; Andreas Windemuth^a ; ^{andreas.windemuth@cyclicarx.com}

关键词：BIA 10-2474 (PubChem CID ; 46831476) ; Proteome-docking ; Bioinformatics ; Neurotoxicity ; Drug-protein interactome ; In silico polypharmacology

刊名：Biochemical and Biophysical Research Communications

出版年：2017

4.In silico target prediction for elucidating the mode of action of herbicides including prospective validation

作者：Rucha K. Chiddarwar^a ; Sebastian G. Rohrer^b ; Antje Wolf^c ; Stefan Tresch^b ; Sabrina Wollenhaupt^c ; Andreas Bender^a ; ^{ab454@cam.ac.uk}

关键词：Herbicide targets ; Mode of action ; In silico target prediction ; MOLPRINT 2D

刊名：Journal of Molecular Graphics and Modelling

出版年：2017

5.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

6.In silico selection and cell-based characterization of selective and bioactive compounds for androgen-dependent prostate cancer cell

作者：Elisa C. Santa Cruz ; Adriel R. Carecho ; Marta E. Saidel ; Carlos Alberto Montanari ; Andrei Leitã ; o ; ^{andleitao@iqsc.usp.br}

关键词：ADT ; androgen deprivation therapy ; AR ; androgen receptor ; LBD ; ligand binding domain ; PCa ; prostate cancer ; SARM ; selective androgen receptor modulator ; VS ; virtual screening ; SBVS ; structure-based virtual screening ; WCRF ; World Cancer Research Fund International

刊名：Bioorganic & Medicinal Chemistry Letters

出版年：2017

7.Discovery of furan carboxylate derivatives as novel inhibitors of ATP-citrate lyase via virtual high-throughput screening

作者：Finith E. Jernigan^a ; ¹ ; Jun-ichi Hanai^b ; ^c ; Vikas P. Sukhatme^b ; ^c ; ^d ; Lijun Sun^a ; ^{lsun1@bidmc.harvard.edu}

关键词：Virtual screening ; Furoic acid ; ATP citrate lyase inhibitor ; Cancer metabolism ; Cancer stemness

刊名：Bioorganic & Medicinal Chemistry Letters

出版年：2017

8.Shape-based virtual screening, synthesis and evaluation of novel pyrrolone derivatives as antiviral agents against HCV

作者：Marcella Bassetto^a ; ^{bassettom@cardiff.ac.uk} ; Pieter Leyssen^b ; Johan Neyts^b ; Mark M. Yerukhimovich^c ; David N. Frick^c ; Andrea Brancale^a

关键词：Ligand-based virtual screening ; Shape-similarity search ; Novel pyrrolones ; Anti-HCV activity

刊名：Bioorganic & Medicinal Chemistry Letters

出版年：2017

9.In silico identification, design and synthesis of novel piperazine-based antiviral agents targeting the hepatitis C virus helicase

作者：Marcella Bassetto^a ; ^{bassettom@cardiff.ac.uk} ; Pieter Leyssen^b ; Johan Neyts^b ; Mark M. Yerukhimovich^c ; David N. Frick^c ; Matthew Courtney-Smith^a ; Andrea Brancale^a

关键词：Structure-based virtual screening ; HCV NS3-helicase ; Piperazine derivatives ; Anti-HCV activity ; NS3 helicase inhibitors

刊名：European Journal of Medicinal Chemistry

出版年：2017

10.Catalytic synthesis of α-amino chromone phosphonates and their antimicrobial, toxicity and potential HIV-1 RT inhibitors based on silico screening

作者：Abosede Oluwabukola Jaiyeola^a ; K. Anand^a ; ^b ; ^{organicanand@gmail.com} ; K. Kasumbwe^c ; M. Ramesh^d ; R.M. Gengan^a ; ^{genganrm@dut.ac.za}

关键词：Boron nitride ; Kabachnik-Fields reaction ; Molecular docking ; Antimicrobial ; HIV-1 reverse transcriptase

刊名：Journal of Photochemistry and Photobiology B: Biology

出版年：2017

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