Studying How Different Terminal Groups Change the Motion of H2NSO2C6H4CONH(EG)3R When Bound to the Active Site of Human Carbonic Anhydrase II

N. Chin, Donovan; Y. Lau, Albert; M. Whitesides, George

doi:10.1021/jo970493z

Public

Studying How Different Terminal Groups Change the Motion of H2NSO2C6H4CONH(EG)3R When Bound to the Active Site of Human Carbonic Anhydrase II

Published in The Journal of Organic Chemistry • Jan 30, 1998

Authors:

Donovan N. Chin

Albert Y. Lau

George M. Whitesides

Abstract

Molecular dynamics simulations have been used to explore the motions of series of ligands containing coupled benzenesulfonamide and oligoethylene glycol moieties (H2NSO2C6H4CONH(CH2-CH2OCH2CH2OCH2CH2)R+; R+ = NH3+, NHCOCH2NH3+, NHCOCH(CH2Ph)NH3+) bound at the active site of human carbonic anhydrase ...

Subject

Chemistry

Crystallography

Ligand (biochemistry)

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