Exploring the chemical space of orally bioavailable PROTACs

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Fältnamn	Indikatorer	Metadata
000		02975naa a2200385 4500
001		oai:DiVA.org:uu-527996
003		SwePub
008		240516s2024 \| \|\|\|\|\|\|\|\|\|\|\|000 \|\|eng\|
024	7	a https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-5279962 URI
024	7	a https://doi.org/10.1016/j.drudis.2024.1039172 DOI
040		a (SwePub)uu
041		a engb eng
042		9 SwePub
072	7	a ref2 swepub-contenttype
072	7	a for2 swepub-publicationtype
100	1	a Apprato, Giuliau Univ Torino, Dept Mol Biotechnol & Hlth Sci, Piazza Nizza 44bis, I-10126 Turin, Italy.4 aut
245	1 0	a Exploring the chemical space of orally bioavailable PROTACs
264	1	b Elsevier,c 2024
338		a electronic2 rdacarrier
520		a A principal challenge in the discovery of proteolysis targeting chimeras (PROTACs) as oral medications is their bioavailability. To facilitate drug design, it is therefore essential to identify the chemical space where orally bioavailable PROTACs are more likely to be situated. To this aim, we extracted structure-bioavailability insights from published data using traditional 2D descriptors, thereby shedding light on their potential and limitations as drug design tools. Subsequently, we describe cuttingedge experimental, computational and hybrid design strategies based on 3D descriptors, which show promise for enhancing the probability of discovering PROTACs with high oral bioavailability.
650	7	a MEDICIN OCH HÄLSOVETENSKAPx Medicinska och farmaceutiska grundvetenskaperx Farmaceutiska vetenskaper0 (SwePub)301012 hsv//swe
650	7	a MEDICAL AND HEALTH SCIENCESx Basic Medicinex Pharmaceutical Sciences0 (SwePub)301012 hsv//eng
700	1	a Poongavanam, Vasanthanathanu Uppsala universitet,Organisk kemi4 aut0 (Swepub:uu)vaspo224
700	1	a Jimenez, Diego Garciau Univ Torino, Dept Mol Biotechnol & Hlth Sci, Piazza Nizza 44bis, I-10126 Turin, Italy.4 aut
700	1	a Atilaw, Yosephu Uppsala universitet,Organisk kemi4 aut0 (Swepub:uu)yosat333
700	1	a Erdélyi, Máté,d 1975-u Uppsala universitet,Organisk kemi4 aut0 (Swepub:uu)mateerde
700	1	a Ermondi, Giuseppeu Univ Torino, Dept Mol Biotechnol & Hlth Sci, Piazza Nizza 44bis, I-10126 Turin, Italy.4 aut
700	1	a Caron, Giuliau Univ Torino, Dept Mol Biotechnol & Hlth Sci, Piazza Nizza 44bis, I-10126 Turin, Italy.4 aut
700	1	a Kihlberg, Janu Uppsala universitet,Organisk kemi4 aut0 (Swepub:uu)janki643
710	2	a Univ Torino, Dept Mol Biotechnol & Hlth Sci, Piazza Nizza 44bis, I-10126 Turin, Italy.b Organisk kemi4 org
773	0	t Drug Discovery Todayd : Elsevierg 29:4q 29:4x 1359-6446x 1878-5832
856	4	u https://doi.org/10.1016/j.drudis.2024.103917y Fulltext
856	4	u https://uu.diva-portal.org/smash/get/diva2:1858377/FULLTEXT01.pdfx primaryx Raw objecty fulltext:print
856	4 8	u https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-527996
856	4 8	u https://doi.org/10.1016/j.drudis.2024.103917

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By the author/editor: Apprato, Giulia; Poongavanam, Vas ...; Jimenez, Diego G ...; Atilaw, Yoseph; Erdélyi, Máté, 1 ...; Ermondi, Giusepp ...; show more...; Caron, Giulia; Kihlberg, Jan; show less...

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MEDICAL AND HEALTH SCIENCES: MEDICAL AND HEAL ...; and Basic Medicine; and Pharmaceutical S ...

Articles in the publication: Drug Discovery T ...

By the university: Uppsala University

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