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OpenEye Scientific Software Inc oedocking suite program fred rescore v. 3.0.1
Oedocking Suite Program Fred Rescore V. 3.0.1, supplied by OpenEye Scientific Software Inc, 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/oedocking+suite+program+fred+rescore+v%2E+3%2E0%2E1/oedocking+suite+program+fred+rescore+v++3+0+1/pm30423734-199-13-15
Average 90 stars, based on 1 article reviews
oedocking suite program fred rescore v. 3.0.1 - by Bioz Stars, 2026-11
90/100 stars

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Article Title: Targeting on poly(ADP-ribose) polymerase activity with DNA-damaging hybrid lactam-steroid alkylators in wild-type and BRCA1-mutated ovarian cancer cells.
Article Snippet: Conjugated lactam-steroid alkylators (LSA), have been shown to exhibit superior activity at controlling cancer models and overlap drug resistance to conventional chemotherapy.. Hybrid LSAs combine two active compounds in a single molecule and incorporate modified steroids bearing lactam moiety in one or more steroid rings functioning as vectors for cytotoxic agents.. We first describe a novel class of LSAs that generate excellent anticancer activity against UWB1.289 and UWB1.289+BRCA1 human ovarian cancer cell lines.

Article Title: Synthesis, structure elucidation and biological evaluation of triple bridged dinuclear copper(II) complexes as anticancer and antioxidant/anti-inflammatory agents.
Article Snippet: Please cite this article as: Z. Boulsourani, S. Katsamakas, G.D. Geromichalos, V. Psycharis, C.P.. Raptopoulou, D. Hadjipavlou-Litina, E. Yiannaki, C. Dendrinou-Samara , Synthesis, structure elucidation and biological evaluation of triple bridged dinuclear copper(II) complexes as anticancer and antioxidant/anti-inflammatory agents.. The address for the corresponding author was captured as affiliation for all authors.

Article Title: Synthesis and evaluation of gallocyanine dyes as potential agents for the treatment of Alzheimer's disease and related neurodegenerative tauopathies
Article Snippet: In search of safe and effective anti-Alzheimer disease agents a series of gallocyanine dyes have been synthesized and evaluated for their ability to inhibit LRPs/DKK1 interactions.. Modulation of the interactions between LRPS and DKK1, regulate Wnt signaling pathway and affect Tau phosphorylation.. The current efforts resulted in the identification of potent DKK1 inhibitors which are able to inhibit prostaglandin J2-induced tau phosphorylation at serine 396.

Article Title: Discovery of novel phenoxazinone derivatives as DKK1/LRP6 interaction inhibitors: Synthesis, biological evaluation and structure-activity relationships.
Article Snippet: Accepted Manuscript Discovery of Novel Phenoxazinone Derivatives as DKK1/LRP6 Interaction In- hibitors: Synthesis, Biological evaluation and Structure-Activity Relationships Savvas Thysiadis, Spyros Mpousis, Nicolaos Avramidis, Sotirios Katsamakas, Athanasios Balomenos, Rosaria Remelli, Spyros Efthimiopoulos, Vasiliki Sarli PII: S0968-0896(16)30025-6 DOI: http://dx.doi.org/10.1016/j.bmc.2016.01.025 Reference: BMC 12768 To appear in: Bioorganic & Medicinal Chemistry Received Date: 3 December 2015 Revised Date: 11 January 2016 Accepted Date: 14 January 2016 Please cite this article as: Thysiadis, S., Mpousis, S., Avramidis, N., Katsamakas, S., Balomenos, A., Remelli, R., Efthimiopoulos, S., Sarli, V., Discovery of Novel Phenoxazinone Derivatives as DKK1/LRP6 Interaction Inhibitors: Synthesis, Biological evaluation and Structure-Activity Relationships, Bioorganic & Medicinal Chemistry (2016), doi: http://dx.doi.org/10.1016/j.bmc.2016.01.025 This is a PDF file of an unedited manuscript that has been accepted for publication.. As a service to our customers we are providing this early version of the manuscript.. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form.

Article Title: Mononuclear copper(II) complexes with 2-thiophene carboxylate and N-N donors; DNA interaction, antioxidant/anti-inflammatory and antitumor activity.
Article Snippet: Redox-active compounds such as copper-phenanthroline are known as artificial/chemical nucleases with a great impact and potential for their applications as metallotherapeutics.. In that vein, the mononuclear copper(II) complexes [Cu(L)2(bipy)] (1), [Cu(L)2(bipy)(H2O)] (2) and [Cu(L)2(phen)(H2O)] (3), where L=2thiophene carboxylate, bipy=2,2 ́-bipyridine and phen=1,10-phenanthroline, have been prepared and pharmacochemically studied, while the crystal structure of 1 is also reported.. All the tested complexes preferably bind to CT-DNA via minor groove as resulted from UV spectroscopy studies, luminescent titration, EB competition assays and viscosity measurements.

Article Title: Boronic Acid Group: A Cumbersome False Negative Case in the Process of Drug Design
Article Snippet: Command line-based docking was then performed, specifying the above prepared files as input for the OEDocking v. 3.0.1 suite software (OpenEye Scientific Software, Inc., Santa Fe, NM, USA; www.eyesopen.com) [31–33], generating 60 final poses for each model. All of the results were further refined by the use of OEDocking suite program FRED rescore v. 3.0.1 (OpenEye Scientific Software, Inc., Santa Fe, NM, USA; www.eyesopen.com) [31–33], providing the sorting of poses using default parameters.

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Article Title: Boronic Acid Group: A Cumbersome False Negative Case in the Process of Drug Design
Article Snippet: .. Command line-based docking was then performed, specifying the above prepared files as input for the OEDocking v. 3.0.1 suite software (OpenEye Scientific Software, Inc., Santa Fe, NM, USA; www.eyesopen.com ) [ , , ], generating 60 final poses for each model. All of the results were further refined by the use of OEDocking suite program FRED rescore v. 3.0.1 (OpenEye Scientific Software, Inc., Santa Fe, NM, USA; www.eyesopen.com ) [ , , ], providing the sorting of poses using default parameters. ..



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OpenEye Scientific Software Inc oedocking suite program fred rescore v. 3.0.1
Oedocking Suite Program Fred Rescore V. 3.0.1, supplied by OpenEye Scientific Software Inc, 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/oedocking+suite+program+fred+rescore+v%2E+3%2E0%2E1/oedocking+suite+program+fred+rescore+v++3+0+1/pm30423734-199-13-15
Average 90 stars, based on 1 article reviews
oedocking suite program fred rescore v. 3.0.1 - by Bioz Stars, 2026-11
90/100 stars
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