Chapter title |
Fragment-Based Ligand Designing
|
---|---|
Chapter number | 8 |
Book title |
Computational Drug Discovery and Design
|
Published in |
Methods in molecular biology, January 2018
|
DOI | 10.1007/978-1-4939-7756-7_8 |
Pubmed ID | |
Book ISBNs |
978-1-4939-7755-0, 978-1-4939-7756-7
|
Authors |
Shashank P. Katiyar, Vidhi Malik, Anjani Kumari, Kamya Singh, Durai Sundar, Katiyar, Shashank P., Malik, Vidhi, Kumari, Anjani, Singh, Kamya, Sundar, Durai |
Abstract |
Fragment-based drug design strategies have been used in drug discovery since it was first demonstrated using experimental structural biology techniques such as nuclear magnetic resonance (NMR) and X-ray crystallography. The underlying idea is that existing or new chemical entities with known desirable properties may serve both as tool compounds and as starting points for hit-to-lead expansion. Despite the recent advancements, there remain challenges to overcome, such as assembly of the synthetically feasible structures, development of scoring functions to correlate structure and their activities, and fine tuning of the promising molecules. This chapter first covers the theoretical background needed to understand the concepts and the challenges related to the field of study, followed by the description of important protocols and related software. Case studies are presented to demonstrate practical applications. |
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Members of the public | 1 | 100% |
Mendeley readers
Geographical breakdown
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Unknown | 14 | 100% |
Demographic breakdown
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Other | 3 | 21% |
Student > Bachelor | 3 | 21% |
Student > Ph. D. Student | 2 | 14% |
Student > Doctoral Student | 1 | 7% |
Researcher | 1 | 7% |
Other | 1 | 7% |
Unknown | 3 | 21% |
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Pharmacology, Toxicology and Pharmaceutical Science | 1 | 7% |
Agricultural and Biological Sciences | 1 | 7% |
Economics, Econometrics and Finance | 1 | 7% |
Chemistry | 1 | 7% |
Other | 0 | 0% |
Unknown | 7 | 50% |