scholarly journals Hierarchical virtual screening approaches in small molecule drug discovery

Methods ◽  
2015 ◽  
Vol 71 ◽  
pp. 26-37 ◽  
Author(s):  
Ashutosh Kumar ◽  
Kam Y.J. Zhang
Keyword(s):  
Drug Discovery ◽  
Virtual Screening ◽  
Small Molecule ◽  
Small Molecule Drug ◽  
Screening Approaches

Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery

2020 ◽  
Vol 60 (9) ◽  
pp. 4144-4152 ◽  
Author(s):  
Xin Cindy Yan ◽  
John M. Sanders ◽  
Ying-Duo Gao ◽  
Matthew Tudor ◽  
Andrew M. Haidle ◽  
...  
Keyword(s):  
Drug Discovery ◽  
Virtual Screening ◽  
Small Molecule ◽  
Screening Techniques ◽  
Small Molecule Drug ◽  
Hit Identification

Targeted Protein Degradation: "The Gold Rush is On!"

2020 ◽  
Vol 7 (1) ◽  
pp. 4-16
Author(s):  
Daria Kotlarek ◽  
Agata Pawlik ◽  
Maria Sagan ◽  
Marta Sowała ◽  
Alina Zawiślak-Architek ◽  
...  
Keyword(s):  
Drug Discovery ◽  
Protein Degradation ◽  
Small Molecule ◽  
Gold Rush ◽  
European Company ◽  
Drug Candidates ◽  
Protein Inhibition ◽  
Small Molecule Drug ◽  
Therapeutic Benefits ◽  
Talent Pool

Targeted Protein Degradation (TPD) is an emerging new modality of drug discovery that offers unprecedented therapeutic benefits over traditional protein inhibition. Most importantly, TPD unlocks the untapped pool of the proteome that to date has been considered undruggable. Captor Therapeutics (Captor) is the fourth global, and first European, company that develops small molecule drug candidates based on the principles of targeted protein degradation. Captor is located in Basel, Switzerland and Wroclaw, Poland and exploits the best opportunities of the two sites – experience and non-dilutive European grants, and talent pool, respectively. Through over $38 M of funding, Captor has been active in three areas of TPD: molecular glues, bi-specific degraders and direct degraders, ObteronsTM.

scholarly journals Glossary and tutorial of xenobiotic metabolism terms used during small molecule drug discovery and development (IUPAC Technical Report)

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Paul Erhardt ◽  
Kenneth Bachmann ◽  
Donald Birkett ◽  
Michael Boberg ◽  
Nicholas Bodor ◽  
...  
Keyword(s):  
Drug Discovery ◽  
Small Molecule ◽  
Chemical Structure ◽  
Early Stage ◽  
Xenobiotic Metabolism ◽  
Drug Discovery And Development ◽  
Small Molecule Drug ◽  
Technical Report ◽  
Wide Range ◽  
Draft Version

Abstract This project originated more than 15 years ago with the intent to produce a glossary of drug metabolism terms having definitions especially applicable for use by practicing medicinal chemists. A first-draft version underwent extensive beta-testing that, fortuitously, engaged international audiences in a wide range of disciplines involved in drug discovery and development. It became clear that the inclusion of information to enhance discussions among this mix of participants would be even more valuable. The present version retains a chemical structure theme while expanding tutorial comments that aim to bridge the various perspectives that may arise during interdisciplinary communications about a given term. This glossary is intended to be educational for early stage researchers, as well as useful for investigators at various levels who participate on today’s highly multidisciplinary, collaborative small molecule drug discovery teams.

scholarly journals Harnessing the Versatility of Optical Biosensors for Target-Based Small-Molecule Drug Discovery

ACS Sensors ◽  
2016 ◽  
Vol 2 (1) ◽  
pp. 10-15 ◽  
Author(s):  
Tim Kaminski ◽  
Anders Gunnarsson ◽  
Stefan Geschwindner
Keyword(s):  
Drug Discovery ◽  
Small Molecule ◽  
Optical Biosensors ◽  
Small Molecule Drug

scholarly journals Pushing the Frontiers of Accessible Chemical Space to Unleash Design Creativity and Accelerate Drug Discovery

2020 ◽  
Vol 74 (10) ◽  
pp. 803-807
Author(s):  
Thomas C. Fessard ◽  
Kristina Goncharenko ◽  
Quentin Lefebvre ◽  
Christophe Salomé
Keyword(s):  
Drug Discovery ◽  
Small Molecule ◽  
Chemical Space ◽  
Molecular Structures ◽  
Complex Structures ◽  
Small Molecule Drug ◽  
Design Creativity ◽  
Research Environments ◽  
Complex Structural ◽  
Synthetic Methodologies

In highly competitive research environments, the ability to access more complex structural spaces efficiently is a predictor of a company's ability to generate novel IP-protected small molecule candidates with adequate properties, hence filling their development pipelines. SpiroChem is consistently developing new synthetic methodologies and strategies to access complex molecular structure, thereby facilitating and accelerating small molecule drug discovery. Pushing the limits of what are perceived as complex molecular structures allows SpiroChem and its clients to unleash creativity and explore meaningful chemical spaces, which are under-exploited sources of novel active molecules. In this article, we explain how we differentiated ourselves in a globalized R&D environment and we provide several snapshots of how efficient methodologies can generate complex structures, rapidly.

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