Unknown

Dataset Information

0

In Silico Identification and Biological Evaluation of Antioxidant Food Components Endowed with IX and XII hCA Inhibition.

ABSTRACT: The tumor-associated isoenzymes hCA IX and hCA XII catalyze the hydration of carbon dioxide to bicarbonate and protons. These isoforms are highly overexpressed in many types of cancer, where they contribute to the acidification of the tumor environment, promoting tumor cell invasion and metastasis. In this work, in order to identify novel dual hCA IX and XII inhibitors, virtual screening techniques and biological assays were combined. A structure-based virtual screening towards hCA IX and XII was performed using a database of approximately 26,000 natural compounds. The best shared hits were submitted to a thermodynamic analysis and three promising best hits were identified and evaluated in terms of their hCA IX and XII inhibitor activity. In vitro biological assays were in line with the theoretical studies and revealed that syringin, lithospermic acid, and (-)-dehydrodiconiferyl alcohol behave as good hCA IX and hCA XII dual inhibitors.

SUBMITTER: Costa G 

PROVIDER: S-EPMC7555330 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

In Silico Identification and Biological Evaluation of Antioxidant Food Components Endowed with IX and XII <i>h</i>CA Inhibition.

Costa Giosuè G   Maruca Annalisa A   Rocca Roberta R   Ambrosio Francesca Alessandra FA   Berrino Emanuela E   Carta Fabrizio F   Mesiti Francesco F   Salatino Alessandro A   Lanzillotta Delia D   Trapasso Francesco F   Artese Anna A   Alcaro Stefano S   Supuran Claudiu T CT  

Antioxidants (Basel, Switzerland) 20200821 9

The tumor-associated isoenzymes <i>h</i>CA IX and <i>h</i>CA XII catalyze the hydration of carbon dioxide to bicarbonate and protons. These isoforms are highly overexpressed in many types of cancer, where they contribute to the acidification of the tumor environment, promoting tumor cell invasion and metastasis. In this work, in order to identify novel dual <i>h</i>CA IX and XII inhibitors, virtual screening techniques and biological assays were combined. A structure-based virtual screening towa  ...[more]

Similar Datasets

Unknown Novel Diamide-Based Benzenesulfonamides as Selective Carbonic Anhydrase IX Inhibitors Endowed with Antitumor Activity: Synthesis, Biological Evaluation and In Silico Insights.
| S-EPMC6566410 | biostudies-literature
Unknown Selective inhibition of carbonic anhydrase IX and XII by coumarin and psoralen derivatives.
| S-EPMC7899656 | biostudies-literature
Unknown Coumarins from <i>Magydaris pastinacea</i> as inhibitors of the tumour-associated carbonic anhydrases IX and XII: isolation, biological studies and in silico evaluation.
| S-EPMC7006766 | biostudies-literature
Unknown In Silico Design, Synthesis, and Biological Evaluation of Anticancer Arylsulfonamide Endowed with Anti-Telomerase Activity.
| S-EPMC8778141 | biostudies-literature
Unknown Squaramide-Tethered Sulfonamides and Coumarins: Synthesis, Inhibition of Tumor-Associated CAs IX and XII and Docking Simulations.
| S-EPMC9318203 | biostudies-literature
Unknown Cranial Nerves IX, X, XI, and XII.
| S-EPMC2882282 | biostudies-other
Clinical Bioactive food components prevent colorectal cancer
| 2671330 | ecrin-mdr-crc
Unknown Novel benzofuran-based sulphonamides as selective carbonic anhydrases IX and XII inhibitors: synthesis and <i>in vitro</i> biological evaluation.
| S-EPMC6913630 | biostudies-literature
Unknown Pharmacological inhibition of Carbonic Anhydrase IX and XII to enhance targeting of acute myeloid leukaemia cells under hypoxic conditions.
| S-EPMC8650039 | biostudies-literature
Unknown Selective inhibition of carbonic anhydrase IX over carbonic anhydrase XII in breast cancer cells using benzene sulfonamides: Disconnect between activity and growth inhibition.
| S-EPMC6242694 | biostudies-literature