Identification of benzamide inhibitors of histone deacetylase 1 from Babesia and Theileria species via high-throughput virtual screening and molecular dynamics simulations.

Gurboga, Merve; Kugu, Gizem; Kamberaj, Hiqmet; Mutlu, Ozal

Gurboga, Merve; Kugu, Gizem; Kamberaj, Hiqmet; Mutlu, Ozal.

Affiliation

Gurboga M; Institute of Health Sciences, Department of Biochemistry (PHA), Marmara University, 34854 Maltepe, Istanbul, Turkey.
Kugu G; Faculty of Science, Department of Molecular Biology and Genetics, Gebze Technical University, 41400 Gebze, Kocaeli, Turkey.
Kamberaj H; Faculty of Engineering, Department of Computer Engineering, International Balkan University, Makedonsko-Kosovska Brigada BB, 1000, Skopje, Republic of North Macedonia.
Mutlu O; Faculty of Arts and Sciences, Department of Biology, Marmara University, 34722, Kadikoy, Istanbul, Turkey. ozal.mutlu@marmara.edu.tr.

Parasitol Res ; 120(6): 2175-2187, 2021 Jun.

Article in En | MEDLINE | ID: mdl-33987736

Subject(s)

Antiprotozoal Agents/pharmacology; Babesia/enzymology; Benzamides/pharmacology; Enzyme Inhibitors/pharmacology; Histone Deacetylase 1/antagonists & inhibitors; Molecular Dynamics Simulation; Theileria/enzymology; Animals; Cattle; Drug Design; Humans; Molecular Docking Simulation

Key words

Babesiosis; Computer-aided drug design; Histone deacetylase 1; Theileriosis

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Babesia / Benzamides / Theileria / Enzyme Inhibitors / Histone Deacetylase 1 / Molecular Dynamics Simulation / Antiprotozoal Agents Type of study: Diagnostic_studies / Screening_studies Limits: Animals / Humans Language: En Journal: Parasitol Res Journal subject: PARASITOLOGIA Year: 2021 Type: Article Affiliation country: Turkey

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