scholarly journals Computational design, Synthesis of 4,6-dihydroxy-2-phenyl-1-benzofuran-3(2H)-one derivatives as new leads for anti-cancer activity

2019 ◽  
Vol 10 (2) ◽  
pp. 896-908
Author(s):  
Raghava Doonaboyina ◽  
Abhilasha Mittal ◽  
Sridhar Babu Gummadi
Keyword(s):  
Hydrochloric Acid ◽  
Sodium Acetate ◽  
Cancer Cell Line ◽  
Computational Design ◽  
Computational Tools ◽  
Design Synthesis ◽  
Anti Cancer ◽  
Phenyl Acetonitrile ◽  
Computational Design Synthesis ◽  
Cancer Activity

Benzofuranone is a bicyclic ring where a benzene ring fused with a furanone. Computation chemistry plays a major role in the development of new lead molecules. Computational tools docking, virtual screening, ADMET prediction are utilised in the identification of new lead molecules. Synthetic chemistry plays a major in developing a series of potent anti-cancer agents. Benzofuranone was synthesized by reacting benzene diols, and triols with bromo phenyl acetonitrile yielded an imine derivative are converted to a ketone with treatment with hydrochloric acid then cyclised with sodium acetate. The compounds identity and purity were confirmed by spectral and analytical methods. Benzofuranone derivatives are screened antineoplastic activity was performed against human skin cancer cell line G361 at micro molecular concentrations. The compounds IA, IB, ID, IE, IF, was found to be with potent activity.

scholarly journals Docking, Screening, Synthesis of 4-hydroxy-6-methyl-2-phenyl-1-benzofuran-3(2H)-one derivatives as new leads for anti-cancer activity

2019 ◽  
Vol 10 (2) ◽  
pp. 883-895
Author(s):  
Raghava Doonaboyina ◽  
Abhilasha Mittal ◽  
Sridhar Babu Gummadi
Keyword(s):  
Skin Cancer ◽  
Hydrochloric Acid ◽  
Virtual Screening ◽  
Analytical Methods ◽  
Sodium Acetate ◽  
Cancer Cell Line ◽  
Efficient Tool ◽  
Anti Cancer ◽  
Phenyl Acetonitrile ◽  
Cancer Activity

Auroneis a bicyclic ring where a benzene ring fused with a furanone. Docking is an efficient tool in the development of new lead molecules. Docking, virtual screening, ADMET prediction are prominent devices in the identification of new lead molecules. Synthetic chemistry plays a major in developing a series of potent anti-cancer agents. Benzofuranone was synthesized by reacting benzene diols, and triols with bromo phenyl acetonitrile yielded an imine derivative are converted to a ketone with treatment with hydrochloric acid then cyclised with sodium acetate. The compounds identity and purity were confirmed by spectral and analytical methods. Benzofuranone derivatives are screened antineoplastic activity was performed against human skin cancer cell line G361 at micro molecular concentrations. The compound IIIA was found to be with potent activity.

A Component Taxonomy as a Framework for Computational Design Synthesis

2009 ◽  
Vol 9 (1) ◽  
Author(s):  
Tolga Kurtoglu ◽  
Matthew I. Campbell ◽  
Cari Bryant Arnold ◽  
Robert B. Stone ◽  
Daniel A. Mcadams
Keyword(s):  
Functional Analysis ◽  
Conceptual Design ◽  
Computational Design ◽  
Design Tools ◽  
Computational Tools ◽  
Design Synthesis ◽  
Computational Design Synthesis ◽  
Generic Component

In this paper, we present our findings on the development of a taxonomy for electromechanical components. In building this taxonomy, we have two main objectives: First, we strive to establish a framework for future computational tools that archive, search, or reuse component knowledge during the conceptual phase of design. Second, we aim to define a standard vocabulary that derives uniformity and consistency in the representation of electromechanical component space. Through both empirically dissecting existing products and defining categories based on functional analysis, we defined 135 generic component types. The use and necessity of the resulting taxonomy by a suite of computational design tools are illustrated in two applications of conceptual design.

scholarly journals 8-Hydroxycudraxanthone G Suppresses IL-8 Production in SP-C1 Tongue Cancer Cells

2014 ◽  
Vol 9 (1) ◽  
pp. 1934578X1400900
Author(s):  
Arlette S. Setiawan ◽  
Roosje R. Oewen ◽  
Supriatno ◽  
Willyanti Soewondo ◽  
Sidik ◽  
...  
Keyword(s):  
Cancer Cells ◽  
Cell Lines ◽  
Cancer Cell ◽  
Therapeutic Intervention ◽  
Tongue Cancer ◽  
Cancer Cell Line ◽  
Cancer Cell Lines ◽  
Garcinia Mangostana ◽  
Anti Cancer ◽  
Cancer Activity

Production of IL-8 primarily promotes angiogenic responses in cancer cells, which lead to favorable disease progression. Suppressing this production may, therefore, be a significant therapeutic intervention in targeting tumor angiogenesis. This study aimed to evaluate the reduction effects of xanthones in cancer cell lines. Nine known prenylated xanthones (1–9), isolated from the pericarp of Garcinia mangostana Linn (GML), were tested for their ability to suppress IL-8 (interleukin-8) of the SP-C1 (Supri's Clone 1) tongue cancer cell line. Of these compounds, 8-hydroxycudraxanthone-G (4) suppressed IL-8 within 48 hours. This is the first report of 8-hydroxycudraxanthone G suppressing the production of IL-8 (45% at 15.7 μg/mL in 48 hours). These results suggest that the prolonged suppression of IL-8 production by cancer cell lines is concerned in the anti-cancer activity of 8-hydroxycudraxanthone.

scholarly journals Closed Shell Iron(IV) Oxo Complex with an Fe–O Triple Bond: Computational Design, Synthesis, and Reactivity

2020 ◽  
Vol 59 (51) ◽  
pp. 23137-23144
Author(s):  
Erik Andris ◽  
Koen Segers ◽  
Jaya Mehara ◽  
Lubomír Rulíšek ◽  
Jana Roithová
Keyword(s):  
Triple Bond ◽  
Computational Design ◽  
Closed Shell ◽  
Design Synthesis ◽  
Computational Design Synthesis

Computational design, synthesis and utilization of a magnetic molecularly imprinted polymer on graphene oxide nanosheets for highly selective extraction and determination of buprenorphine in biological fluids and tablets

2018 ◽  
Vol 10 (43) ◽  
pp. 5214-5226 ◽  
Author(s):  
Farideh Ganjavi ◽  
Mehdi Ansari ◽  
Maryam Kazemipour ◽  
Leila Zeidabadinejad
Keyword(s):  
Biological Fluids ◽  
Computational Design ◽  
Selective Extraction ◽  
Graphene Oxide Nanosheets ◽  
Imprinted Polymer ◽  
Design Synthesis ◽  
Molecularly Imprinted ◽  
Plasma And Urine Samples ◽  
Computational Design Synthesis

A magnetic MIP for the selective extraction of buprenorphine (BUP) from real plasma and urine samples and tablets based on computational design as a novel procedure has been developed.

Toward an automated approach to the design of sheet metal components

2003 ◽  
Vol 17 (3) ◽  
pp. 187-204 ◽  
Author(s):  
ADITYA SOMAN ◽  
SWAPNIL PADHYE ◽  
MATTHEW I. CAMPBELL
Keyword(s):  
Sheet Metal ◽  
User Interaction ◽  
Computational Design ◽  
Design Synthesis ◽  
Manufacturing Operations ◽  
Grammar Rules ◽  
Computational Design Synthesis ◽  
Representation Scheme ◽  
Sheet Metal Component ◽  
Synthesis Approach

The design of sheet metal components is perhaps one of the more challenging concurrent activities for design and manufacturing engineers. To aid this design process, a method is developed to encapsulate the constraints of sheet metal that make designing such components a tedious and iterative procedure. This project involves the implementation and testing of a geometric representation scheme for building feasible sheet metal components through the use of 17 grammar rules that capture manufacturing operations like cutting and bending. The implemented system has benefits both as a user interaction tool and as the basis for a computational design synthesis approach for designing sheet metal components. An example of a constructed sheet metal component is shown along with the method for invoking the sheet metal grammar to create this component.

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