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Chemical Computing Group molecular operating environment (moe), 2013.08
Molecular Operating Environment (Moe), 2013.08, supplied by Chemical Computing Group, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/molecular+operating+environment+(moe%3B+2013%2E08)/molecular+operating+environment++moe+/us12331122-3200-0-5
Average 90 stars, based on 1 article reviews
molecular operating environment (moe), 2013.08 - by Bioz Stars, 2026-10
90/100 stars

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Article Title: A gold(i) biscarbene complex with improved activity as a TrxR inhibitor and cytotoxic drug: comparative studies with different gold metallodrugs.
Article Snippet: ISSN 1756-591X Metallomics rsc.li/metallomics In de xe d in M ed lin e!. PAPER Ingo Ott et al . A gold(I) biscarbene complex with improved activity as a TrxR inhibitor and cytotoxic drug: comparative studies with different gold metallodrugs Volume 11 Number 3 March 2019 Pages 511–726 D ow nloaded from https://academ ic.oup.com /m etallom ics/article/11/3/533/5954241 by guest on 22 M ay 2024 This journal is © The Royal Society of Chemistry 2019 Metallomics, 2019, 11, 533--545 | 533 Cite this: Metallomics, 2019, 11, 533 A gold(I) biscarbene complex with improved activity as a TrxR inhibitor and cytotoxic drug: comparative studies with different gold metallodrugs† Claudia Schmidt, a Lucia Albrecht,b Shantheya Balasupramaniam,a Rainer Misgeld,c Bianka Karge,d Mark Brönstrup, d Aram Prokop,c Knut Baumann, a Stephan Reichlb and Ingo Ott *a Gold complexes with N-heterocyclic carbene (NHC) ligands have been attracting major attention in medicinal inorganic chemistry based on their favorable antiproliferative effects and the structural versatility of the coordinated NHC ligands.. Here we present a novel complex of the type (NHC)2Au +, which represents a substantially improved and selective TrxR inhibitor compared to close structural analogues.

Article Title: The Molecular and Structural Basis of O -methylation Reaction in Coumarin Biosynthesis in Peucedanum praeruptorum Dunn
Article Snippet: For molecular docking of different coumarins to PpBMT and COMT-S, the program Molecular Operating Environment (MOE, 2013.08, Chemical Computing Group Inc., Montreal, QC, Canada) was employed by the co-author Chuanlong Huang.

Article Title: Synthesis of 3-aza[4.4.3]propellanes with high σ 1 receptor affinity.
Article Snippet: In order to obtain rigid 1 receptor ligands with defined orientation of pharmacophoric elements, the azapropellane scaffold was chosen.. Schmidt rearrangement of propellan-8-ones 6 and 10 provided 3-azapropellan-4-ones 7 and 11.. Benzylation of the secondary lactams 7 and 11 followed by LiAlH4 reduction furnished the azapropellanes 4a and 4c, respectively.

Article Title: Surface area, volume and shape descriptors as a novel tool for polymer lead design and discovery.
Article Snippet: Article history: Received 2 December 2016 Received in revised form 1 March 2017 Accepted 10 March 2017 Available online 12 March 2017 In recent years, the demand and interest for functionalized polymers have increased for drug delivery purposes.. Because of the increased interest, methods that can be used to predict physical and chemical properties of polymers prior to synthesis would be of high value for the design and development of novel polymer structures.. Through use of molecular descriptors and Principal Component Analysis, this study explores the possibilities of using in silico methods for polymer design and characterization for property prediction.

Article Title: High-Performance Prediction of Human Estrogen Receptor Agonists Based on Chemical Structures
Article Snippet: The three-dimensional conformations of the chemical structures in two configurations (a charged form at neutral pH and an uncharged form) were calculated in the Molecular Operating Environment (MOE) 2013.08 (Chemical Computing Group Inc., Montréal, QC, Canada) [20].

Article Title: Can Cysteine Protease Cross-Class Inhibitors Achieve Selectivity?
Article Snippet: Subscriber access provided by BUFFALO STATE is published by the American Chemical Society.. 1155 Sixteenth Street N.W., Washington, DC 20036 Published by American Chemical Society.. Copyright © American Chemical Society.

Article Title: High-Performance Prediction of Human Estrogen Receptor Agonists Based on Chemical Structures
Article Snippet: The three-dimensional conformations of the chemical structures in two configurations (a charged form at neutral pH and an uncharged form) were calculated in the Molecular Operating Environment (MOE) 2013.08 (Chemical Computing Group Inc., Montréal, QC, Canada) [ ].

Generated:

Article Title: Structure–activity relationships in a series of antiplasmodial thieno[2,3- b ]pyridines
Article Snippet: .. Ligand molecular structures were generated and energy minimized using Molecular Operating Environment (MOE, 2013.08, Chemical Computing Group Inc., Montreal, Canada). ..



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