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molecular operating environment moe software version 2015 10  (Chemical Computing Group)

 
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    Chemical Computing Group molecular operating environment moe software version 2015 10
    Molecular Operating Environment Moe Software Version 2015 10, supplied by Chemical Computing Group, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/2015+software/environment+molecular+operating/10__1016_slash_j__jics__2026__102624-103-7-14
    Average 86 stars, based on 1 article reviews
    molecular operating environment moe software version 2015 10 - by Bioz Stars, 2026-11
    86/100 stars

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    Related Articles

    Docking Assay:

    Article Title: Molecular Docking, Synthesis, and, Biological Activity of New Diclofenac Derivatives Incorporating 1,2,4-Triazole Ring as a Promising Antibacterial Agents
    Article Snippet: .. Molecular docking studies were carried out using MOE 2015 software from chemical computing as per the following steps: 1. ..

    Article Title: Development of nifedipine isosteres: an integrated approach to the design, synthesis, and biological assessment of calcium channel blockers
    Article Snippet: .. Computer-guided docking experiments were conducted using Molecular Operating Environment (MOE 2015.10) software, Chemical Computing Group, Montreal, Canada. ..

    Software:

    Article Title: Molecular Docking, Synthesis, and, Biological Activity of New Diclofenac Derivatives Incorporating 1,2,4-Triazole Ring as a Promising Antibacterial Agents
    Article Snippet: .. Molecular docking studies were carried out using MOE 2015 software from chemical computing as per the following steps: 1. ..

    Article Title: Copper–pyrogallol complexation dynamics: Electrochemical insights and molecular docking studies for glioma treatment
    Article Snippet: The electrochemical behaviour of copper chloride CuCl2 and its interaction with pyrogallol were examined in order to assess their potential as glioma-targeting medications.. Cyclic voltammetry in 0.1 M KCl at 292.15 K revealed two oxidation peaks (− 0.023 V, 0.165 V) for Cu and Cu2+ and two reduction peaks (0.095 V, − 0.370 V) for Cu and metallic Cu.. Peak currents rose with increasing CuCl2 concentration.

    Article Title: Development of nifedipine isosteres: an integrated approach to the design, synthesis, and biological assessment of calcium channel blockers
    Article Snippet: .. Computer-guided docking experiments were conducted using Molecular Operating Environment (MOE 2015.10) software, Chemical Computing Group, Montreal, Canada. ..

    Article Title: Development and characterization of BSA-pullulan gel matrices incorporating orange peel flavonoids: Structural interactions and antimicrobial and antioxidant functionalities.
    Article Snippet: .. MOE-2015 software (Chemical Computing Group, Montreal, Canada) was only used for visualization. ..

    Article Title: The Double Life of Plant-Based Food Waste: A Source of Phenolic Acids and a Carrier for Immobilization of Lipases Capable of Their Lipophilization.
    Article Snippet: .. To determine the lipophilicity of the obtained chlorogenic acid esters, the octanol/water partition coefficient (logP) and aqueous solubility (logS) were calculated in MOE Software (MOE 2015.10, Molecular Operating Environment, Chemical Computing Group, Montreal, QC, Canada). .. The results were statistically analyzed using the STATISTICA 13.3 software (TIBCO Software Inc., Palo Alto, CA, USA).

    Article Title: Design, synthesis, and antiproliferative efficacy of an innovative series of triazino[5,6-b]indole derivatives targeting EGFR, CD1, Hsp90, PI3K, and ERK/AKT as key molecular targets in cancer therapy.
    Article Snippet: The development of novel triazino[5,6-b]indole-hydrazone conjugates and triazino[5,6-b]indole-fused heterocyclic hybrids was achieved through structural optimization.. The growth-inhibitory activity of the newly synthesized derivatives was evaluated against MCF-7 and MDA-MB-231 human breast cancer cell lines, relative to the reference drug doxorubicin, by MTT assay.. According to the results obtained, the tested compounds showed significant antiproliferative activity versus MCF-7 cell line with IC50 values ranging from 1.06 + 0.05 μM to 66.58 + 0.05 μM and MDA-MB-231 cell line IC50 values ranging from 0.78 + 0.04 μM to 51.99 + 3.85 μM in comparison to doxorubicin (IC50 = 7.45 ± 0.38 μM and 2.08 ± 0.074 μM respectively), with compounds 4, 6, 7, 9, 11, and 12 exhibited valuable biological effect towards MCF-7 cells and derivatives 4, 6, 11, and 12 effective towards MDA-MB-231 cells.

    Solubility:

    Article Title: The Double Life of Plant-Based Food Waste: A Source of Phenolic Acids and a Carrier for Immobilization of Lipases Capable of Their Lipophilization.
    Article Snippet: .. To determine the lipophilicity of the obtained chlorogenic acid esters, the octanol/water partition coefficient (logP) and aqueous solubility (logS) were calculated in MOE Software (MOE 2015.10, Molecular Operating Environment, Chemical Computing Group, Montreal, QC, Canada). .. The results were statistically analyzed using the STATISTICA 13.3 software (TIBCO Software Inc., Palo Alto, CA, USA).

    other:

    Article Title: The Double Life of Plant-Based Food Waste: A Source of Phenolic Acids and a Carrier for Immobilization of Lipases Capable of Their Lipophilization
    Article Snippet: The results were statistically analyzed using the STATISTICA 13.3 software (TIBCO Software Inc., Palo Alto, CA, USA).

    Article Title: Discovery of noncovalent diaminopyrimidine-based Inhibitors for glioblastoma via a dual FAK/DNA targeting strategy.
    Article Snippet: Temozolomide, a widely used alkylating agent for glioblastoma treatment, faces significant challenges due to the development of resistance, which severely impacts patient survival.. This underscores the urgent need for novel strategies to overcome this barrier.. Focal adhesion kinase (FAK), an intracellular non-receptor tyrosine kinase, is highly expressed in glioblastoma cells and has been identified as a promising therapeutic target for antiglioblastoma drug development.

    Inhibition:

    Article Title: Design, synthesis, and antiproliferative efficacy of an innovative series of triazino[5,6-b]indole derivatives targeting EGFR, CD1, Hsp90, PI3K, and ERK/AKT as key molecular targets in cancer therapy.
    Article Snippet: The development of novel triazino[5,6-b]indole-hydrazone conjugates and triazino[5,6-b]indole-fused heterocyclic hybrids was achieved through structural optimization.. The growth-inhibitory activity of the newly synthesized derivatives was evaluated against MCF-7 and MDA-MB-231 human breast cancer cell lines, relative to the reference drug doxorubicin, by MTT assay.. According to the results obtained, the tested compounds showed significant antiproliferative activity versus MCF-7 cell line with IC50 values ranging from 1.06 + 0.05 μM to 66.58 + 0.05 μM and MDA-MB-231 cell line IC50 values ranging from 0.78 + 0.04 μM to 51.99 + 3.85 μM in comparison to doxorubicin (IC50 = 7.45 ± 0.38 μM and 2.08 ± 0.074 μM respectively), with compounds 4, 6, 7, 9, 11, and 12 exhibited valuable biological effect towards MCF-7 cells and derivatives 4, 6, 11, and 12 effective towards MDA-MB-231 cells.



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