Insight into the promiscuous activity of human carbonic anhydrase against the cyanic acid substrate from a combined QM and QM/MM investigation

P. Piazzetta; T. Marino; N. Russo

doi:10.1039/c4cp02363c

Insight into the promiscuous activity of human carbonic anhydrase against the cyanic acid substrate from a combined QM and QM/MM investigation

Physical Chemistry Chemical Physics ◽

10.1039/c4cp02363c ◽

2014 ◽

Vol 16 (31) ◽

pp. 16671 ◽

Cited By ~ 16

Author(s):

P. Piazzetta ◽

T. Marino ◽

N. Russo

Keyword(s):

Carbonic Anhydrase ◽

Cyanic Acid ◽

Human Carbonic Anhydrase ◽

Acid Substrate ◽

Insight Into

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Computational evaluation of 2-amino-5-sulphonamido-1,3,4-thiadiazoles as human carbonic anhydrase-IX inhibitors: an insight into the structural requirement for the anticancer activity against HEK 293

Medicinal Chemistry Research ◽

10.1007/s00044-017-1929-3 ◽

2017 ◽

Vol 26 (10) ◽

pp. 2272-2292

Author(s):

Mahavir Chhajed ◽

Anil K. Shrivastava ◽

Atika Chhajed ◽

Vijay Taile ◽

Sumeet Prachand ◽

...

Keyword(s):

Carbonic Anhydrase ◽

Anticancer Activity ◽

Carbonic Anhydrase Ix ◽

Structural Requirement ◽

Hek 293 ◽

Computational Evaluation ◽

Human Carbonic Anhydrase ◽

Insight Into

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Molecular dynamics simulations of human carbonic anhydrase II: Insight into experimental results and the role of solvation

Proteins Structure Function and Bioinformatics ◽

10.1002/(sici)1097-0134(19981001)33:1<119::aid-prot11>3.0.co;2-o ◽

1998 ◽

Vol 33 (1) ◽

pp. 119-134 ◽

Cited By ~ 26

Author(s):

Dongsheng Lu ◽

Gregory A. Voth

Keyword(s):

Molecular Dynamics ◽

Carbonic Anhydrase ◽

Molecular Dynamics Simulations ◽

Experimental Results ◽

Carbonic Anhydrase Ii ◽

Human Carbonic Anhydrase ◽

Dynamics Simulations ◽

Insight Into

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Faculty Opinions recommendation of Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1002154.24304 ◽

2001 ◽

Author(s):

David Matthews

Keyword(s):

Carbonic Anhydrase ◽

Crystal Lattice ◽

Carbonic Anhydrase Ii ◽

Human Carbonic Anhydrase

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Pharmacophore Modeling and 3D QSAR Studies of Novel Human Carbonic Anhydrase IX Inhibitors

Letters in Drug Design & Discovery ◽

10.2174/15701808113100990026 ◽

2013 ◽

Vol 10 (9) ◽

pp. 808-816

Author(s):

Kalyan Sethi ◽

Saurabh Verma

Keyword(s):

Carbonic Anhydrase ◽

3D Qsar ◽

Pharmacophore Modeling ◽

Carbonic Anhydrase Ix ◽

Qsar Studies ◽

Human Carbonic Anhydrase

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In-Silico Analysis of Chromone Containing Sulfonamide Derivatives as Human Carbonic Anhydrase Inhibitors

Medicinal Chemistry ◽

10.2174/1573406411309040015 ◽

2013 ◽

Vol 9 (4) ◽

pp. 608-616 ◽

Cited By ~ 3

Author(s):

Zaheer Ul-Haq ◽

Saman Usmani ◽

Uzma Mahmood ◽

Mariya al-Rashida ◽

Ghulam Abbas

Keyword(s):

Carbonic Anhydrase ◽

In Silico ◽

In Silico Analysis ◽

Carbonic Anhydrase Inhibitors ◽

Human Carbonic Anhydrase ◽

Silico Analysis

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1H and13C NMR studies of the spatial arrangement ofp-nitrophenol and acetate at the catalytic sites of Mn(II)-and Co(II)-substituted human carbonic anhydrase C

Journal of Biological Physics ◽

10.1007/bf01988690 ◽

1982 ◽

Vol 10 (2) ◽

pp. 85-92

Author(s):

Raj K. Gupta ◽

John M. Pesando

Keyword(s):

Carbonic Anhydrase ◽

Spatial Arrangement ◽

Nmr Studies ◽

1H And13c Nmr ◽

Catalytic Sites ◽

Human Carbonic Anhydrase

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Theoretical investigation of the structural and electronic features of SLC-0111, a novel inhibitor of human carbonic anhydrase IX, and its anion

Structural Chemistry ◽

10.1007/s11224-021-01741-x ◽

2021 ◽

Author(s):

Varun Chahal ◽

Rita Kakkar

Keyword(s):

Carbonic Anhydrase ◽

Theoretical Investigation ◽

Carbonic Anhydrase Ix ◽

Human Carbonic Anhydrase

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Structural and functional importance of a conserved hydrogen bond network in human carbonic anhydrase II.

Journal of Biological Chemistry ◽

10.1016/s0021-9258(19)74269-0 ◽

1993 ◽

Vol 268 (36) ◽

pp. 27458-27466

Author(s):

J F Krebs ◽

J A Ippolito ◽

D W Christianson ◽

C A Fierke

Keyword(s):

Hydrogen Bond ◽

Carbonic Anhydrase ◽

Carbonic Anhydrase Ii ◽

Hydrogen Bond Network ◽

Functional Importance ◽

Bond Network ◽

Human Carbonic Anhydrase

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The proteolytic degradation of normal and variant human carbonic anhydrase isozymes by alpha-chymotrypsin.

Journal of Biological Chemistry ◽

10.1016/s0021-9258(19)69968-0 ◽

1981 ◽

Vol 256 (3) ◽

pp. 1330-1334

Author(s):

W.R. Osborne ◽

R.E. Tashian

Keyword(s):

Carbonic Anhydrase ◽

Proteolytic Degradation ◽

Human Carbonic Anhydrase

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Kinetic analysis of a mutant (His107–>Tyr) responsible for human carbonic anhydrase II deficiency syndrome.

Journal of Biological Chemistry ◽

10.1016/s0021-9258(18)53464-5 ◽

1993 ◽

Vol 268 (7) ◽

pp. 4775-4779

Author(s):

C. Tu ◽

J.M. Couton ◽

G. Van Heeke ◽

N.G. Richards ◽

D.N. Silverman

Keyword(s):

Carbonic Anhydrase ◽

Kinetic Analysis ◽

Deficiency Syndrome ◽

Carbonic Anhydrase Ii ◽

Carbonic Anhydrase Ii Deficiency ◽

Human Carbonic Anhydrase

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