@article{MTMT:3333356,
	title = {Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of d-amino acid oxidase inhibitors},
	url = {https://m2.mtmt.hu/api/publication/3333356},
	author = {Orgován, Zoltán and Ferenczy, György and Steinbrecher, Thomas and Szilágyi, Bence and Bajusz, Dávid and Keserű, György Miklós},
	doi = {10.1007/s10822-018-0097-y},
	journal-iso = {J COMPUT AID MOL DES},
	journal = {JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN},
	volume = {32},
	unique-id = {3333356},
	issn = {0920-654X},
	year = {2018},
	eissn = {1573-4951},
	pages = {331-345},
	orcid-numbers = {Ferenczy, György/0000-0002-5771-4616; Bajusz, Dávid/0000-0003-4277-9481}
}

@article{MTMT:3344151,
	title = {Discovery of isatin and 1H-indazol-3-ol derivatives as d-amino acid oxidase (DAAO) inhibitors},
	url = {https://m2.mtmt.hu/api/publication/3344151},
	author = {Szilágyi, Bence and Kovacs, P and Ferenczy, György and Rácz, Anita and Németh, Krisztina and Benéné Visy, Júlia and Szabó, Pál Tamás and Ilas, J and Balogh, György Tibor and Monostory, Katalin and Vincze, István and Tábi, Tamás and Szökő, Éva and Keserű, György Miklós},
	doi = {10.1016/j.bmc.2018.02.004},
	journal-iso = {BIOORGAN MED CHEM},
	journal = {BIOORGANIC & MEDICINAL CHEMISTRY},
	volume = {26},
	unique-id = {3344151},
	issn = {0968-0896},
	abstract = {d-Amino acid oxidase (DAAO) is a potential target in the treatment of schizophrenia as its inhibition increases brain d-serine level and thus contributes to NMDA receptor activation. Inhibitors of DAAO were sought testing [6+5] type heterocycles and identified isatin derivatives as micromolar DAAO inhibitors. A pharmacophore and structure-activity relationship analysis of isatins and reported DAAO inhibitors led us to investigate 1H-indazol-3-ol derivatives and nanomolar inhibitors were identified. The series was further characterized by pKa and isothermal titration calorimetry measurements. Representative compounds exhibited beneficial properties in in vitro metabolic stability and PAMPA assays. 6-fluoro-1H-indazol-3-ol (37) significantly increased plasma d-serine level in an in vivo study on mice. These results show that the 1H-indazol-3-ol series represents a novel class of DAAO inhibitors with the potential to develop drug candidates.},
	year = {2018},
	eissn = {1464-3391},
	pages = {1579-1587},
	orcid-numbers = {Ferenczy, György/0000-0002-5771-4616; Szabó, Pál Tamás/0000-0003-2260-4641; Balogh, György Tibor/0000-0003-3347-1880; Vincze, István/0000-0002-6843-7159; Tábi, Tamás/0000-0001-5343-0205; Szökő, Éva/0000-0003-1464-6403}
}