How Size Matters: Designing Diverse Fragment Libraries for Novel Drug Discovery
نویسندگان
چکیده
منابع مشابه
Drug Discovery with Novel Chemical Libraries
Several drug discovery and design endevours are focused on an exhaustive exploration of the drug-like chemical space with the final goal of identifying compounds that can be developed clinically. The traditional drug-like chemical space has been defined using old drugs with empirical rules such as the Lipinski’s Rule-of-Five (RO5). Therefore, promising drug candidates may be overlooked because ...
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...
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The main task of drug discovery is to find novel bioactive molecules, i.e., chemical compounds that, for example, protect human cells against a virus. One way to support solving this task is to analyze a database of known and tested molecules in order to find structural properties of molecules that determine whether a molecule will be active or inactive, so that future chemical tests can be foc...
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The genomics revolution has provided a deluge of new targets for drug discovery. To facilitate the drug discovery process, many researchers are turning to fragment-based approaches to find lead molecules more efficiently. One such method, Tethering1, allows for the identification of small-molecule fragments that bind to specific regions of a protein target. These fragments can then be elaborate...
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Recent advances in the design, selection, and engineering of DNA binding proteins have led to the emerging field of designer transcription factors (TFs). Modular DNA-binding protein domains can be assembled to recognize a given sequence of a DNA in a regulatory region of a targeted gene. TFs can be readily prepared by linking the DNA-binding protein to a variety of effector domains that mediate...
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ژورنال
عنوان ژورنال: Proceedings
سال: 2019
ISSN: 2504-3900
DOI: 10.3390/proceedings2019022107