Literature DB >> 27145833

A divergent synthetic approach to diverse molecular scaffolds: assessment of lead-likeness using LLAMA, an open-access computational tool.

Ignacio Colomer1, Christopher J Empson, Philip Craven, Zachary Owen, Richard G Doveston, Ian Churcher, Stephen P Marsden, Adam Nelson.   

Abstract

Complementary cyclisation reactions of hex-2-ene-1,6-diamine derivatives were exploited in the synthesis of alternative molecular scaffolds. The value of the synthetic approach was analysed using LLAMA, an open-access computational tool for assessing the lead-likeness and novelty of molecular scaffolds.

Entities:  

Year:  2016        PMID： 27145833     DOI： 10.1039/c6cc03244c

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  16 in total

Review 1.  Expanding the medicinal chemistry synthetic toolbox.

Authors:  Jonas Boström; Dean G Brown; Robert J Young; György M Keserü
Journal:  Nat Rev Drug Discov       Date:  2018-08-24       Impact factor: 84.694

2.  Diversity Oriented Clicking (DOC): Divergent Synthesis of SuFExable Pharmacophores from 2-Substituted-Alkynyl-1-Sulfonyl Fluoride (SASF) Hubs.

Authors:  Christopher J Smedley; Gencheng Li; Andrew S Barrow; Timothy L Gialelis; Marie-Claire Giel; Alessandra Ottonello; Yunfei Cheng; Seiya Kitamura; Dennis W Wolan; K Barry Sharpless; John E Moses
Journal:  Angew Chem Int Ed Engl       Date:  2020-06-04       Impact factor: 15.336

3.  Build-Couple-Transform: A Paradigm for Lead-like Library Synthesis with Scaffold Diversity.

Authors:  Mélanie Uguen; Gemma Davison; Lukas J Sprenger; James H Hunter; Mathew P Martin; Shannon Turberville; Jessica E Watt; Bernard T Golding; Martin E M Noble; Hannah L Stewart; Michael J Waring
Journal:  J Med Chem       Date:  2022-08-09       Impact factor: 8.039

Review 4.  The European Lead Factory: A Blueprint for Public-Private Partnerships in Early Drug Discovery.

Authors:  Anna Karawajczyk; Kristina M Orrling; Jon S B de Vlieger; Ton Rijnders; Dimitrios Tzalis
Journal:  Front Med (Lausanne)       Date:  2017-01-19

5.  Modulation of a Supramolecular Figure-of-Eight Strip Based on a Photoswitchable Stiff-Stilbene.

Authors:  Romain Costil; Stefano Crespi; Lukas Pfeifer; Ben L Feringa
Journal:  Chemistry       Date:  2020-06-03       Impact factor: 5.236

6.  Phenotyping Reveals Targets of a Pseudo-Natural-Product Autophagy Inhibitor.

Authors:  Daniel J Foley; Sarah Zinken; Dale Corkery; Luca Laraia; Axel Pahl; Yao-Wen Wu; Herbert Waldmann
Journal:  Angew Chem Int Ed Engl       Date:  2020-04-21       Impact factor: 15.336

7.  Highly Stereoselective Synthesis of a Compound Collection Based on the Bicyclic Scaffolds of Natural Products.

Authors:  Murali Annamalai; Stanimira Hristeva; Martyna Bielska; Raquel Ortega; Kamal Kumar
Journal:  Molecules       Date:  2017-05-18       Impact factor: 4.411

8.  Diversity-Oriented Synthesis and Chemoinformatic Analysis of the Molecular Diversity of sp3-Rich Morpholine Peptidomimetics.

Authors:  Elena Lenci; Riccardo Innocenti; Gloria Menchi; Andrea Trabocchi
Journal:  Front Chem       Date:  2018-10-30       Impact factor: 5.221

9.  Synthesis and Demonstration of the Biological Relevance of sp3 -rich Scaffolds Distantly Related to Natural Product Frameworks.

Authors:  Daniel J Foley; Philip G E Craven; Patrick M Collins; Richard G Doveston; Anthony Aimon; Romain Talon; Ian Churcher; Frank von Delft; Stephen P Marsden; Adam Nelson
Journal:  Chemistry       Date:  2017-10-06       Impact factor: 5.236

10.  Rigid and concave, 2,4-cis-substituted azetidine derivatives: A platform for asymmetric catalysis.

Authors:  Akina Yoshizawa; Antonio Feula; Louise Male; Andrew G Leach; John S Fossey
Journal:  Sci Rep       Date:  2018-04-25       Impact factor: 4.379
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