Niclas Decker
@niclas-decker.bsky.social
Recent graduate in Molecular Bioengineering (MSc), TU Dresden | Formerly in #lipidomics research at Fedorova Lab | Exploring new opportunities in bioengineering and life sciences
(4) Defining guidelines for drug design has a tremendous influence on the field and should be done with caution, using tools that predict clogP values close to experimentally observed logP. www.nature.com/articles/s41...
Beware of extreme calculated lipophilicity when designing cyclic peptides - Nature Chemical Biology
Orally bioavailable, high molecular weight macrocyclic peptides that inhibit difficult-to-drug protein–protein interactions are of high therapeutic value, and rules for their design were proposed rece...
www.nature.com
November 22, 2024 at 1:27 AM
(4) Defining guidelines for drug design has a tremendous influence on the field and should be done with caution, using tools that predict clogP values close to experimentally observed logP. www.nature.com/articles/s41...
(3) However, “When the “c” in clogP stands for “crazy”” (Derek Lowe, Science 2013), beware that ChemDraw and Daylight predictions (clogP) often massively exaggerate experimentally observed lipophilicity (logP).
November 22, 2024 at 1:27 AM
(3) However, “When the “c” in clogP stands for “crazy”” (Derek Lowe, Science 2013), beware that ChemDraw and Daylight predictions (clogP) often massively exaggerate experimentally observed lipophilicity (logP).
(2) ‘Rule-based’ strategies for the discovery of orally bioavailable cyclic peptides are being implemented. Here, it becomes crucial to determine lipophilicity!
pubs.acs.org/doi/full/10....
pubs.acs.org/doi/full/10....
Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets
Establishing a technological platform for creating clinical compounds inhibiting intracellular protein–protein interactions (PPIs) can open the door to many valuable drugs. Although small molecules an...
pubs.acs.org
November 22, 2024 at 1:27 AM
(2) ‘Rule-based’ strategies for the discovery of orally bioavailable cyclic peptides are being implemented. Here, it becomes crucial to determine lipophilicity!
pubs.acs.org/doi/full/10....
pubs.acs.org/doi/full/10....