Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Diego Garcia Jimenez"'
Autor:
Giulia Caron, Diego Garcia Jimenez, Maura Vallaro, Luigi Vitagliano, Lucia Lopez Lopez, Giulia Apprato, Giuseppe Ermondi
Publikováno v:
ADMET and DMPK (2024)
Background and Purpose. The classical drug discovery toolbox continually expands beyond traditional rule of five (Ro5)-compliant small molecules to include new chemical modalities for difficult-to-drug targets. The paper focuses on the molecular prop
Externí odkaz:
https://doaj.org/article/26713494ea964f078f7547ce33586869
Publikováno v:
Pharmaceutics, Vol 15, Iss 1, p 272 (2023)
Chameleonicity (the capacity of a molecule to adapt its conformations to the environment) may help to identify orally bioavailable drugs in the beyond-Rule-of-5 chemical space. Computational methods to predict the chameleonic behaviour of degraders h
Externí odkaz:
https://doaj.org/article/fad4e39e41ee44e4aa8f52ea9c05a533
Publikováno v:
ADMET and DMPK (2021)
PROTACs® are expected to strongly impact the future of drug discovery. Therefore, in this work we firstly performed a statistical study to highlight the distribution of E3 ligases and POIs collected in PROTAC-DB, the main online database focused on
Externí odkaz:
https://doaj.org/article/74b08ec42b514660991e2c66f4beab70
Publikováno v:
Journal of Medicinal Chemistry. 66:5377-5396
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aecf8d8fd144738a74ea358fee71d88a
https://doi.org/10.1021/acs.jmedchem.3c00134
https://doi.org/10.1021/acs.jmedchem.3c00134
Publikováno v:
Journal of Medicinal Chemistry. 65:12068-12083
There is a need of computational tools to rank bRo5 drug candidates in the very early phases of drug discovery when chemical matter is unavailable. In this study, we selected three compounds: (a) a Ro5 drug (Pomalidomide), (b) a bRo5 orally available
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9b70a84e5d16bba6acdb74f6bb3e891a
https://doi.org/10.1021/acs.jmedchem.2c00774
https://doi.org/10.1021/acs.jmedchem.2c00774
Publikováno v:
ACS Medicinal Chemistry Letters
To obtain new oral drugs in the beyond rule of five space, PROTACs among others, molecular properties should be optimized in early drug discovery. Degraders call for design strategies which focus on intramolecular interaction and chameleonicity. In p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::49df9e4612105727bd5fe7be73e88b05
https://doi.org/10.1021/acsmedchemlett.1c00298
https://doi.org/10.1021/acsmedchemlett.1c00298
Publikováno v:
ADMET and DMPK (2021)
ADMET and DMPK
Volume 9
Issue 4
ADMET and DMPK
Volume 9
Issue 4
PROTACs® are expected to strongly impact the future of drug discovery. Therefore, in this work we firstly performed a statistical study to highlight the distribution of E3 ligases and POIs collected in PROTAC-DB, the main online database focused on
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::891ee9244f34d2658a0155a212cde777
https://doi.org/10.5599/admet.1037
https://doi.org/10.5599/admet.1037
Publikováno v:
Molecules
Volume 26
Issue 3
Molecules, Vol 26, Iss 672, p 672 (2021)
Volume 26
Issue 3
Molecules, Vol 26, Iss 672, p 672 (2021)
Targeted protein degradation by PROTACs has emerged as a new modality for the knockdown of a range of proteins, and, more recently, it has become increasingly clear that the PROTAC chemical space requires characterization through a pool of ad hoc phy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cf7d2921c9c44031454e3c3b57c6dc15
https://pubmed.ncbi.nlm.nih.gov/33525371
https://pubmed.ncbi.nlm.nih.gov/33525371
Publikováno v:
Molecules, Vol 26, Iss 3, p 672 (2021)
Targeted protein degradation by PROTACs has emerged as a new modality for the knockdown of a range of proteins, and, more recently, it has become increasingly clear that the PROTAC chemical space requires characterization through a pool of ad hoc phy
Externí odkaz:
https://doaj.org/article/4e3abfcb5a7a44849fb3a65d3a22999a