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

Kalyan Sethi; Saurabh Verma

doi:10.2174/15701808113100990026

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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Identification of potent human carbonic anhydrase IX inhibitors: a combination of pharmacophore modeling, 3D-QSAR, virtual screening and molecular dynamics simulations

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2020.1860132 ◽

2020 ◽

pp. 1-16

Author(s):

Varun Chahal ◽

Sonam Nirwan ◽

Mallika Pathak ◽

Rita Kakkar

Keyword(s):

Molecular Dynamics ◽

Virtual Screening ◽

Carbonic Anhydrase ◽

Molecular Dynamics Simulations ◽

3D Qsar ◽

Pharmacophore Modeling ◽

Carbonic Anhydrase Ix ◽

Human Carbonic Anhydrase ◽

Dynamics Simulations

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Molecular insights of oxadiazole benzene sulfonamides as human carbonic anhydrase IX inhibitors: Combined molecular docking, molecular dynamics, and 3D QSAR studies

Journal of the Indian Chemical Society ◽

10.1016/j.jics.2022.100339 ◽

2022 ◽

pp. 100339

Author(s):

P. Gopinath ◽

M.K. Kathiravan

Keyword(s):

Molecular Dynamics ◽

Molecular Docking ◽

Carbonic Anhydrase ◽

3D Qsar ◽

Carbonic Anhydrase Ix ◽

Qsar Studies ◽

Human Carbonic Anhydrase

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3D QSAR studies, pharmacophore modeling, and virtual screening of diarylpyrazole–benzenesulfonamide derivatives as a template to obtain new inhibitors, using human carbonic anhydrase II as a model protein

Journal of Enzyme Inhibition and Medicinal Chemistry ◽

10.1080/14756366.2016.1241781 ◽

2017 ◽

Vol 32 (1) ◽

pp. 688-700 ◽

Cited By ~ 5

Author(s):

Yeganeh Entezari Heravi ◽

Hassan Sereshti ◽

Ali Akbar Saboury ◽

Jahan Ghasemi ◽

Marzieh Amirmostofian ◽

...

Keyword(s):

Virtual Screening ◽

Carbonic Anhydrase ◽

3D Qsar ◽

Pharmacophore Modeling ◽

Carbonic Anhydrase Ii ◽

Qsar Studies ◽

Model Protein ◽

Human Carbonic Anhydrase

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Design and Synthesis of Quinazolinone Derivatives as Anti-inflammatory Agents: Pharmacophore Modeling and 3D QSAR Studies

Medicinal Chemistry ◽

10.2174/1573406409666131128142843 ◽

2014 ◽

Vol 10 (7) ◽

pp. 711-723 ◽

Cited By ~ 4

Author(s):

P. Chaitanya ◽

G. Reddy ◽

G. Varun ◽

L.M. Srikanth ◽

V.V.S.R. Prasad ◽

...

Keyword(s):

3D Qsar ◽

Pharmacophore Modeling ◽

Qsar Studies ◽

Design And Synthesis ◽

Anti Inflammatory ◽

Quinazolinone Derivatives

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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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Pharmacophore modeling, virtual screening, and 3D-QSAR studies on a series of non-steroidal aromatase inhibitors

Medicinal Chemistry Research ◽

10.1007/s00044-014-1257-9 ◽

2014 ◽

Vol 24 (5) ◽

pp. 1901-1915 ◽

Cited By ~ 5

Author(s):

Huiding Xie ◽

Kaixiong Qiu ◽

Xiaoguang Xie

Keyword(s):

Virtual Screening ◽

Aromatase Inhibitors ◽

3D Qsar ◽

Pharmacophore Modeling ◽

Qsar Studies ◽

Steroidal Aromatase Inhibitors

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Design, synthesis and biological evaluation of novel pyridine-thiazolidinone derivatives as anticancer agents: Targeting human carbonic anhydrase IX

European Journal of Medicinal Chemistry ◽

10.1016/j.ejmech.2017.12.049 ◽

2018 ◽

Vol 144 ◽

pp. 544-556 ◽

Cited By ~ 24

Author(s):

Mohammad Fawad Ansari ◽

Danish Idrees ◽

Md. Imtaiyaz Hassan ◽

Kamal Ahmad ◽

Fernando Avecilla ◽

...

Keyword(s):

Carbonic Anhydrase ◽

Anticancer Agents ◽

Biological Evaluation ◽

Carbonic Anhydrase Ix ◽

Design Synthesis ◽

Human Carbonic Anhydrase ◽

Synthesis And Biological Evaluation

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Abstract P038: Identification and functional evaluation of monoclonal antibodies specifically targeting human Carbonic Anhydrase IX

10.1158/2326-6074.tumimm21-p038 ◽

2022 ◽

Author(s):

Anne E. G. Lenferink ◽

Jason Baardsnes ◽

Traian Sulea ◽

Cunle Wu ◽

Maurizio Acchione ◽

...

Keyword(s):

Monoclonal Antibodies ◽

Carbonic Anhydrase ◽

Carbonic Anhydrase Ix ◽

Functional Evaluation ◽

Human Carbonic Anhydrase

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Discovery of new 2, 5-disubstituted 1,3-selenazoles as selective human carbonic anhydrase IX inhibitors with potent anti-tumor activity

European Journal of Medicinal Chemistry ◽

10.1016/j.ejmech.2018.08.096 ◽

2018 ◽

Vol 157 ◽

pp. 1214-1222 ◽

Cited By ~ 13

Author(s):

Andrea Angeli ◽

Elena Trallori ◽

Marta Ferraroni ◽

Lorenzo Di Cesare Mannelli ◽

Carla Ghelardini ◽

...

Keyword(s):

Carbonic Anhydrase ◽

Carbonic Anhydrase Ix ◽

Human Carbonic Anhydrase ◽

Anti Tumor Activity

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Novel thiazolidinone-containing compounds, without the well-known sulphonamide zinc-binding group acting as human carbonic anhydrase IX inhibitors

Journal of Enzyme Inhibition and Medicinal Chemistry ◽

10.1080/14756366.2018.1499628 ◽

2018 ◽

Vol 33 (1) ◽

pp. 1299-1308 ◽

Cited By ~ 8

Author(s):

Özlen Güzel-Akdemir ◽

Andrea Angeli ◽

Kübra Demir ◽

Claudiu T. Supuran ◽

Atilla Akdemir

Keyword(s):

Carbonic Anhydrase ◽

Carbonic Anhydrase Ix ◽

Zinc Binding ◽

Human Carbonic Anhydrase

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