Fragment-based drug design (FBDD)
نویسندگان
چکیده
منابع مشابه
Design Principles for Fragment Libraries: Maximizing the Value of Learnings from Pharma Fragment-Based Drug Discovery (FBDD) Programs for Use in Academia.
Fragment-based drug discovery (FBDD) is well suited for discovering both drug leads and chemical probes of protein function; it can cover broad swaths of chemical space and allows the use of creative chemistry. FBDD is widely implemented for lead discovery in industry but is sometimes used less systematically in academia. Design principles and implementation approaches for fragment libraries ar...
متن کامل“Fragment-Based Drug Design of Bromodomain Ligands”
Epigenetic mechnisms are essential for normal development and alterations of epigenetic processe are correlated with many human diseases, e.g., cancer. One of the important epigenetic modifications, acetylation of lysine, is mainly recognized by structurally conserved protein module bromodomains. Targeting bromodomains by small molecules is an emerging therapeutic strategy for cancer treatment....
متن کاملFragment-Based Drug Discovery
Fragment-based drug discovery (FBDD), while still a relatively new approach, has been so successful for identifying ligands for protein targets that it is alreadywidely regarded as representing a sea-change in drug discovery techniques. The strategy involves identifying small (typically ,300Da), low-affinity ligands (‘fragments’) and combining or expanding these to produce larger, higher-affini...
متن کاملCrystalDock: A Novel Approach to Fragment-Based Drug Design
We present a novel algorithm called CrystalDock that analyzes a molecular pocket of interest and identifies potential binding fragments. The program first identifies groups of pocket-lining receptor residues (i.e., microenvironments) and then searches for geometrically similar microenvironments present in publically available databases of ligand-bound experimental structures. Germane fragments ...
متن کاملFragment based drug design: from experimental to computational approaches.
Fragment based drug design has emerged as an effective alternative to high throughput screening for the identification of lead compounds in drug discovery in the past fifteen years. Fragment based screening and optimization methods have achieved credible success in many drug discovery projects with one approved drug and many more compounds in clinical trials. The fragment based drug design star...
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ژورنال
عنوان ژورنال: Journal of Organic and Pharmaceutical Chemistry
سال: 2017
ISSN: 2518-1548,2308-8303
DOI: 10.24959/ophcj.17.913