Scaffold Hopping in Medicinal Chemistry
Nathan Brown · Raimund Mannhold · Hugo Kubinyi · Gerd Folkers
Nov 2013 · John Wiley & Sons
I-Ebook
328
Amakhasi
reportIzilinganiso nezibuyekezo aziqinisekisiwe Funda Kabanzi
Mayelana nale ebook
This first systematic treatment of the concept and practice of scaffold hopping shows the tricks of the trade and provides invaluable guidance for the reader's own projects.
The first section serves as an introduction to the topic by describing the concept of scaffolds, their discovery, diversity and representation, and their importance for finding new chemical entities. The following part describes the most common tools and methods for scaffold hopping, whether topological, shape-based or structure-based. Methods such as CATS, Feature Trees, Feature Point Pharmacophores (FEPOPS), and SkelGen are discussed among many others. The final part contains three fully documented real-world examples of successful drug development projects by scaffold hopping that illustrate the benefits of the approach for medicinal chemistry.
While most of the case studies are taken from medicinal chemistry, chemical and structural biologists will also benefit greatly from the insights presented here.
The first section serves as an introduction to the topic by describing the concept of scaffolds, their discovery, diversity and representation, and their importance for finding new chemical entities. The following part describes the most common tools and methods for scaffold hopping, whether topological, shape-based or structure-based. Methods such as CATS, Feature Trees, Feature Point Pharmacophores (FEPOPS), and SkelGen are discussed among many others. The final part contains three fully documented real-world examples of successful drug development projects by scaffold hopping that illustrate the benefits of the approach for medicinal chemistry.
While most of the case studies are taken from medicinal chemistry, chemical and structural biologists will also benefit greatly from the insights presented here.
Mayelana nomlobi
Nathan Brown is the Head of the In Silico Medicinal Chemistry group in the Cancer Therapeutics Unit at The Institute of Cancer Research in London (UK). At the ICR, Dr. Brown and his group support the entire drug discovery portfolio together with developing new computational methodologies to enhance the drug design work.
Nathan Brown conducted his doctoral research in Sheffield with Professor Peter Willett focusing on evolutionary algorithms and graph theory. After a two-year Marie Curie Fellowship in Amsterdam in collaboration with Professor Johann Gasteiger in Erlangen, he joined the Novartis Institutes for BioMedical Research in Basel for a three-year Presidential Fellowship in Basel working with Professors Peter Willett and Karl-Heinz Altmann.
His work has led to the pioneering work on multiobjective de novo design in addition to a variety of discoveries and method development in scaffold hopping, bioisosteric identifi cation and replacement, molecular descriptors and statistical modeling. Nathan continues to pursue his research in all aspects of in silico medicinal chemistry.
Nathan Brown conducted his doctoral research in Sheffield with Professor Peter Willett focusing on evolutionary algorithms and graph theory. After a two-year Marie Curie Fellowship in Amsterdam in collaboration with Professor Johann Gasteiger in Erlangen, he joined the Novartis Institutes for BioMedical Research in Basel for a three-year Presidential Fellowship in Basel working with Professors Peter Willett and Karl-Heinz Altmann.
His work has led to the pioneering work on multiobjective de novo design in addition to a variety of discoveries and method development in scaffold hopping, bioisosteric identifi cation and replacement, molecular descriptors and statistical modeling. Nathan continues to pursue his research in all aspects of in silico medicinal chemistry.
Nikeza le ebook isilinganiso
Sitshele ukuthi ucabangani.
Ulwazi lokufunda
Amasmathifoni namathebulethi
Faka uhlelo lokusebenza lwe-Google Play Amabhuku lwe-Android ne-iPad/iPhone. Livunyelaniswa ngokuzenzakalela ne-akhawunti yakho liphinde likuvumele ukuthi ufunde uxhunywe ku-inthanethi noma ungaxhunyiwe noma ngabe ukuphi.
Amakhompyutha aphathekayo namakhompyutha
Ungalalela ama-audiobook athengwe ku-Google Play usebenzisa isiphequluli sewebhu sekhompuyutha yakho.
Ama-eReaders namanye amadivayisi
Ukuze ufunde kumadivayisi e-e-ink afana ne-Kobo eReaders, uzodinga ukudawuniloda ifayela futhi ulidlulisele kudivayisi yakho. Landela imiyalelo Yesikhungo Sosizo eningiliziwe ukuze udlulise amafayela kuma-eReader asekelwayo.
