Fragments: where are we now?

2020 ◽  
Vol 48 (1) ◽  
pp. 271-280 ◽  
Author(s):  
James Osborne ◽  
Stanislava Panova ◽  
Magdalini Rapti ◽  
Tatsuya Urushima ◽  
Harren Jhoti
Keyword(s):  
Drug Discovery ◽  
Drug Administration ◽  
Clinical Studies ◽  
Food And Drug Administration ◽  
Library Design ◽  
Lead Optimisation ◽  
Fragment Library ◽  
The Future ◽  
Fragment Based Drug Discovery

Fragment-based drug discovery (FBDD) has become a mainstream technology for the identification of chemical hit matter in drug discovery programs. To date, the food and drug administration has approved four drugs, and over forty compounds are in clinical studies that can trace their origins to a fragment-based screen. The challenges associated with implementing an FBDD approach are many and diverse, ranging from the library design to developing methods for identifying weak affinity compounds. In this article, we give an overview of current progress in fragment library design, fragment to lead optimisation and on the advancement in techniques used for screening. Finally, we will comment on the future opportunities and challenges in this field.

scholarly journals Fragment Library of Natural Products and Compound Databases for Drug Discovery

Biomolecules ◽  
2020 ◽  
Vol 10 (11) ◽  
pp. 1518 ◽  
Author(s):  
Ana L. Chávez-Hernández ◽  
Norberto Sánchez-Cruz ◽  
José L. Medina-Franco
Keyword(s):  
Natural Products ◽  
Drug Discovery ◽  
Synthetic Compounds ◽  
Drug Candidates ◽  
Compound Libraries ◽  
Chemical Database ◽  
Fragment Library ◽  
Further Development ◽  
Fragment Libraries ◽  
Fragment Based Drug Discovery

Natural products and semi-synthetic compounds continue to be a significant source of drug candidates for a broad range of diseases, including coronavirus disease 2019 (COVID-19), which is causing the current pandemic. Besides being attractive sources of bioactive compounds for further development or optimization, natural products are excellent substrates of unique substructures for fragment-based drug discovery. To this end, fragment libraries should be incorporated into automated drug design pipelines. However, public fragment libraries based on extensive collections of natural products are still limited. Herein, we report the generation and analysis of a fragment library of natural products derived from a database with more than 400,000 compounds. We also report fragment libraries of a large food chemical database and other compound datasets of interest in drug discovery, including compound libraries relevant for COVID-19 drug discovery. The fragment libraries were characterized in terms of content and diversity.

scholarly journals Access to 3D Alicyclic Amine-Containing Fragments through Transannular C–H Arylation

Synlett ◽  
2019 ◽  
Vol 30 (04) ◽  
pp. 417-422 ◽  
Author(s):  
Melissa Lee ◽  
Ashley Adams ◽  
Philip Cox ◽  
Melanie Sanford
Keyword(s):  
Drug Discovery ◽  
Microwave Heating ◽  
Reaction Times ◽  
Rule Of Three ◽  
New Approaches ◽  
Fragment Library ◽  
Directing Group ◽  
Fragment Based Drug Discovery

In this Letter, we adapt a recently reported Pd-catalyzed transannular C(sp3)–H arylation of alicyclic amines for applications in fragment-based drug discovery (FBDD). We apply this method to the synthesis of a series of 6-arylated 3-azabicyclo[3.1.0]hexanes that are rule-of-three compliant fragments. Several modifications were made to the Pd-catalyzed C–H arylation method to enhance its utility in fragment synthesis. These include the use of microwave heating to shorten reaction times to under 1 h and the development of new approaches for directing group cleavage. Finally, we demonstrate that this fragment library falls within desirable physicochemical space for FBDD applications.

Pharmacy and Tobacco

1997 ◽  
Vol 31 (10) ◽  
pp. 1253-1256
Author(s):  
Martha M Rumore
Keyword(s):  
Smoking Cessation ◽  
Young People ◽  
Drug Administration ◽  
Food And Drug Administration ◽  
Morbidity And Mortality ◽  
Tobacco Products ◽  
The Future ◽  
The Impact ◽  
Fda Regulations

With the recognition that smoking begins in youth and that tobacco products are readily available to those under 18 years of age, new Food and Drug Administration (FDA) regulations restrict the sale, distribution, promotion, and advertising of cigarettes to minors. The objective is to decrease the use of tobacco by young people and consequently reduce the future morbidity and mortality from tobacco. Pharmacists currently have three choices with regard to the sale of tobacco in pharmacies: display and sell tobacco products, refuse to sell tobacco products, or make tobacco products available but counsel on smoking cessation. Each choice, as well as the impact of the new FDA regulations on pharmacy, is discussed.

What is the future for fragment-based drug discovery?

2017 ◽  
Vol 9 (13) ◽  
pp. 1457-1460 ◽  
Author(s):  
György M Keserű ◽  
Michael M Hann
Keyword(s):  
Drug Discovery ◽  
The Future ◽  
Fragment Based Drug Discovery

Off-Label Use and Prescribing What Does It Mean for the Foot and Ankle Surgeon?

2010 ◽  
Vol 3 (5) ◽  
pp. 303-306
Author(s):  
Christopher F. Hyer
Keyword(s):  
Drug Administration ◽  
Medical Devices ◽  
Clinical Studies ◽  
Food And Drug Administration ◽  
Good Thing ◽  
Foot And Ankle ◽  
Off Label Use ◽  
Off Label ◽  
Practice Of Medicine ◽  
Indications For Use

Drugs and medical devices obtain specific on-label indications for use by the Food and Drug Administration. Physicians are able to use such devices and drugs off label as part of the practice of medicine, but is this is good thing? This edition of In the Profession examines what it means to be off label in terms of regulations, clinical studies, industry marketing, and common areas of use.

scholarly journals Is it time for biocatalysis in fragment-based drug discovery?

2020 ◽  
Vol 11 (41) ◽  
pp. 11104-11112
Author(s):  
Jeremy I. Ramsden ◽  
Sebastian C. Cosgrove ◽  
Nicholas J. Turner
Keyword(s):  
Drug Discovery ◽  
The Future ◽  
Fragment Based Drug Discovery

This perspective discusses how biocatalysis could play an important role in the future fragment-based drug discovery.

Botulinum toxins in the treatment of migraines

2020 ◽  
Vol 9 (3) ◽  
pp. 114-117
Author(s):  
Tariq Sumrein
Keyword(s):  
Botulinum Toxin ◽  
Effective Treatment ◽  
Drug Administration ◽  
Food And Drug Administration ◽  
Botulinum Toxins ◽  
Aesthetic Medicine ◽  
The Us ◽  
The Future

Ten years ago, Botulinum toxin was approved by the US Food and Drug Administration for the treatment of migraines. Dr Tariq Sumrein details how this effective treatment works and what this means for aesthetic practitioners and the future of aesthetic medicine

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