A novel Vip3Aa16-Cry1Ac chimera toxin: Enhancement of toxicity against Ephestia kuehniella, structural study and molecular docking

We performed a structural study followed by a theoretical analysis of the chemical descriptors and the biological activity of a series of 5-thiophen-2-yl pyrazole derivatives as potent and selective Cannabinoid-1...

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Enzymatic analysis, structural study and molecular docking of laccase and catalase from B. subtilis SK1 after textile dye exposure

Ecological Informatics ◽

10.1016/j.ecoinf.2018.10.003 ◽

2018 ◽

Vol 48 ◽

pp. 269-280 ◽

Cited By ~ 3

Author(s):

Suhas K. Kadam ◽

Asif S. Tamboli ◽

Susmit B. Sambhare ◽

Byong-Hun Jeon ◽

Sanjay P. Govindwar

Keyword(s):

Molecular Docking ◽

Structural Study ◽

Textile Dye ◽

Enzymatic Analysis

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Comparative Structural Study and Molecular Docking of Indoline Spiropyrans Containing α-Lipoic Acid Fragment

Doklady Chemistry ◽

10.1134/s0012500821060021 ◽

2021 ◽

Vol 498 (2) ◽

pp. 104-111

Author(s):

I. V. Ozhogin ◽

V. V. Tkachev ◽

A. S. Kozlenko ◽

A. D. Pugachev ◽

M. B. Lukyanova ◽

...

Keyword(s):

Molecular Docking ◽

Structural Study ◽

Lipoic Acid ◽

Acid Fragment

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New Morphiceptin Peptidomimetic Incorporating (1S,2R,3S,4S,5R)-2-Amino-3,4,5-trihydroxycyclopen-tane-1-carboxylic acid: Synthesis and Structural Study

Molecules ◽

10.3390/molecules25112574 ◽

2020 ◽

Vol 25 (11) ◽

pp. 2574

Author(s):

Raquel Soengas ◽

Marcos Lorca ◽

Begoña Pampín ◽

Víctor M. Sánchez-Pedregal ◽

Ramón J. Estévez ◽

...

Keyword(s):

Molecular Docking ◽

Amino Acid ◽

Carboxylic Acid ◽

Structural Study ◽

Acid Synthesis ◽

Analgesic Drug ◽

Proline Residue ◽

Docking Calculations ◽

A Subunit

We present the synthesis and structural study of a new peptidomimetic of morphiceptin, which can formally be considered as the result of the replacement of the central proline residue of this natural analgesic drug with a subunit of (1S,2R,3S,4S,5R)-2-amino-3,4,5-trihydroxycyclopentane-1-carboxylic acid, previously obtained from L-idose. An optimized synthesis of this trihydroxylated cispentacin derivative is also reported. Molecular docking calculations on the target receptor support a favorable role of the hydroxy substituents of the non-natural β-amino acid incorporated into the peptidomimetic.

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CORONAVIRUS AND ITS MAIN PROTEASE: AN INSIGHT FOR DRUGS DESIGN BY MOLECULAR DOCKING

Revista Ifes Ciência ◽

10.36524/ric.v6i1.749 ◽

2020 ◽

Vol 6 (1) ◽

pp. 73-83

Author(s):

Simone Queiroga Brito Gonçalves ◽

Eloi Alves Da Silva Filho ◽

Osmair Vital De Oliveira ◽

Arlan da Silva Gonçalves

Keyword(s):

Molecular Docking ◽

Structural Study ◽

Work Motivation ◽

Molecular Target ◽

Antiviral Drugs ◽

Viral Activity ◽

Main Protease ◽

Sulphydryl Groups ◽

Potential Inhibitors ◽

Interaction Between Drugs

Many virus need their sulphydryl groups to be reduced in order to be allowed to enter cells. SARS-CoV-2, which belongs to Coronaviridae family and is responsible for coronavirus disease 2019 or COVID-19, has cysteine-rich proteins in its capsid as the main CoV protease (MPRO), which must be intact and active maintaining the viral activity. Considering that MPRO is an important molecular target for development of antiviral drugs, this work motivation was the structural study of the possible ways of interaction between drugs and viral cysteines by molecular docking technique for design of new potential inhibitors of MPRO and its virulence.

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An Ultra-Structural Study of Human Melanoma in Vivo and Vitro

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100091275 ◽

1976 ◽

Vol 34 ◽

pp. 258-259

Author(s):

James R. Gaylor ◽

Fredda Schafer ◽

Robert E. Nordquist

Keyword(s):

Endoplasmic Reticulum ◽

Golgi Apparatus ◽

Protein Aggregation ◽

Structural Study ◽

Human Melanoma ◽

Protein Matrix ◽

Early Form ◽

Endoplasmic Reticulum Protein ◽

Mitochondrial Origin

Several theories on the origin of the melanosome exist. These include the Golgi origin theory, in which a tyrosinase-rich protein is "packaged" by the Golgi apparatus, thus forming the early form of the melanosome. A second theory postulates a mitochondrial origin of melanosomes. Its author contends that the melanosome is a modified mitochondria which acquires melanin during its development. A third theory states that a pre-melanosome is formed in the smooth or rough endoplasmic reticulum. Protein aggregation is suggested by one author as a possible source of the melanosome. This fourth theory postulates that the melanosome originates when the protein products of several genetic loci aggregate in the cytoplasm of the melanocyte. It is this protein matrix on which the melanin is deposited. It was with these theories in mind that this project was undertaken.

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