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Insilico analysis of Docking between HIV-1 PR and derivatives of CUI: Docking between HIV-1 proteases and cyclic urea inhibitors : A step towards drug designing against AIDS - Couverture souple

Kumar, Dhruv

 
9783844384765: Insilico analysis of Docking between HIV-1 PR and derivatives of CUI: Docking between HIV-1 proteases and cyclic urea inhibitors : A step towards drug designing against AIDS
Couverture souple
ISBN 10 : 3844384766 ISBN 13 : 9783844384765
Editeur : LAP LAMBERT Academic Publishing, 2011

Synopsis

HIV-1 Proteases (PR) are an enzyme which cleaves the long HIV polyprotein into small functional peptide fragment. These small fragments again terminate into mature HIV. Inhibition of cleavage of poly protein into small peptide fragment could prevent regeneration of HIV. Computational docking between HIV-1 PR and derivatives of Cyclic Urea Inhibitors (CUIs) has provide us clue to design drug against AIDS. Computational approaches were used to dock ligand (CUIs) with HIV-1 PR to stop cleavage. CUIs are seven-member ring structure of cyclic urea compound. It incorporates the hydrogen-bonding equivalents of an enzyme-bound water molecule into a low molecular weight. Our result suggest that some of derivatives of CUIs binds with HIV-1 PR, which can be stop the fuction of HIV-1 PR(cleavage of long protein chain into small peptide fragment).Evaluation of docking results was performed based on steric complementarity. This can be called the best fitting of ligand to the enzyme pocket. The following three factors are primarily involved to influence binding conformation between ligand and a protein.These are binding energy,hydrogen bonding,and hydrophobic interaction.

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Présentation de l'éditeur

HIV-1 Proteases (PR) are an enzyme which cleaves the long HIV polyprotein into small functional peptide fragment. These small fragments again terminate into mature HIV. Inhibition of cleavage of poly protein into small peptide fragment could prevent regeneration of HIV. Computational docking between HIV-1 PR and derivatives of Cyclic Urea Inhibitors (CUIs) has provide us clue to design drug against AIDS. Computational approaches were used to dock ligand (CUIs) with HIV-1 PR to stop cleavage. CUIs are seven-member ring structure of cyclic urea compound. It incorporates the hydrogen-bonding equivalents of an enzyme-bound water molecule into a low molecular weight. Our result suggest that some of derivatives of CUIs binds with HIV-1 PR, which can be stop the fuction of HIV-1 PR(cleavage of long protein chain into small peptide fragment).Evaluation of docking results was performed based on steric complementarity. This can be called the best fitting of ligand to the enzyme pocket. The following three factors are primarily involved to influence binding conformation between ligand and a protein.These are binding energy,hydrogen bonding,and hydrophobic interaction.

Biographie de l'auteur

Dhruv Kumar, Ph.D in Cellular, Molecular and Industrial Biology, at NanoBioScience Lab, Department of Biochemistry, University of Bologna, Italy. M.Sc in Bioinformatics with Distinction from University of Allahabad,India. B.Sc in Chemistry (Hons)from Department of Chemistry, Faculty of Science, Banaras Hindu University (BHU) India.

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
LAP LAMBERT Academic Publishing
Date d'édition
2011
Langue
anglais
ISBN 10 
3844384766
ISBN 13 
9783844384765
Reliure
Broché
Nombre de pages
104
Coordonnées du fabricant
non disponible
Personne responsable
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