molecular operating environment (moe) visualization, modeling and simulations software (Chemical Computing Group)
90
Structured Review
Chemical Computing Group
molecular operating environment (moe) visualization, modeling and simulations software
Molecular Operating Environment (Moe) Visualization, Modeling And Simulations Software, 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/software+simulation+environment/molecular+operating+environment++moe+/us11891441-349-36-38
Average 90 stars, based on 1 article reviews
Molecular Operating Environment (Moe) Visualization, Modeling And Simulations Software, 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/software+simulation+environment/molecular+operating+environment++moe+/us11891441-349-36-38
Average 90 stars, based on 1 article reviews
molecular operating environment (moe) visualization, modeling and simulations software - by Bioz Stars,
2026-09
90/100 stars
Images
Related Articles
other:Article Title: Dual functional antioxidant and butyrylcholinesterase inhibitors for the treatment of Alzheimer's disease: Design, synthesis and evaluation of novel melatonin-alkylbenzylamine hybrids. Article Snippet: Here, we have designed and synthesized a series of melatonin-alkylbenzylamine hybrids as multitarget agents for the treatment of Alzheimer’s disease (AD).. Most of them exhibited a potent multifunctional profile involving cholinesterase inhibition and antioxidant effects.. Among these compounds, compound 5 was most the potent antioxidant (ORAC = 5.13) and also an excellent selective inhibitor of BuChE (huBuChE IC50 = 1.20 μM, huAChE IC50 = 177.49 μM, SI = 147.91). Software:Article Title: Isolation of balenine from opah (Lampris megalopsis) muscle and comparison of antioxidant and iron-chelating activities with other major imidazole dipeptides. Article Snippet: This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record.. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article.. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. Article Title: Spectroscopic and computational investigation of the interaction between the new anticancer agent enasidenib and human serum albumin. Article Snippet: a r t i c l e i n f o Article Title: Identification of new 5-(2,6-dichlorophenyl)-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-7-carboxylic acids as p38α MAPK inhibitors: Design, synthesis, antitumor evaluation, molecular docking and in silico studies. Article Snippet: In pursuit of discovering novel scaffolds that demonstrate potential inhibitory activity against p38α MAPK and possess strong antitumor effects, we herein report the design and synthesis of new series of 17 final target 5-(2,6dichlorophenyl)-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-7-carboxylic acids (4–20).. Chemical characterization of the compounds was performed using FT-IR, NMR, elemental analyses and mass spectra of some representative examples.. With many compounds showing potential inhibitory activity against p38α MAPK, two derivatives, 8 and 9, demonstrated the highest activity (>70 % inhibition) among the series. Article Title: Click-modifiable isatin hydrazones as COX-2, VEGFR-2, and carbonic anhydrase inhibitors: A multi-target approach to cancer therapy. Article Snippet: In pursuit of novel therapeutic strategies for complex multifactorial diseases such as cancer, a set of isatin hydrazone/1,2,3-triazole hybrids was rationally designed and synthesized to target multiple cancer-related pathways, including COX-2, VEGFR-2, and tumor-associated carbonic anhydrases (CA IX and XII).. In vitro COX-2 inhibition assays revealed eight hybrids with nanomolar potency (IC50 = 50–90 nM), comparable to celecoxib, with compounds 5h and 5j exhibiting comparable selectivity indices to celecoxib.. For VEGFR-2 inhibition, compound 5f surpassed sunitinib (IC50 = 64 vs. 92 nM), while 5j retained ~75 % of its activity. Article Title: Nicotinonitrile-derived apoptotic inducers: Design, synthesis, X-ray crystal structure and Pim kinase inhibition. Article Snippet: Although a plethora of targeted anticancer small molecule drugs became available, the low response rate and drug resistance imply the continuous need for expanding the anticancer chemical space.. In this study, a novel series of nicotinonitrile derivatives was designed, synthesized and evaluated for cytotoxic activities in HepG2 and MCF-7 cells.. All derivatives showed high to moderate cytotoxic activity against both cell lines, with cell-type and chemotype-dependent cytotoxic potential. Article Title: Metabolomic profiling to assess the effects of chlordanes and its bioaccumulation characteristics in chicken embryo. Article Snippet: • Chlordanes with the lower Kow contribute to their transport to embryo.. • Trans-nonachlor and MC5 were hardly metabolized and highly persistent in |