ArticleJournal of combinatorial chemistry
Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction.
Article in Journal of combinatorial chemistry. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed, 36 citations in OpenAlex.
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- BINANA 2: Characterizing Receptor/Ligand Interactions in Python and JavaScript.Journal of chemical information and modeling · 2022Article
- Multi-Institution Research and Education Collaboration Identifies New Antimicrobial Compounds.ACS chemical biology · 2020Article
- (IUCrData · 2020Article
- Large-Scale Asymmetric Synthesis of Fmoc-(ChemistryOpen · 2019Article
- Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening.Journal of cheminformatics · 2019Article
- Unnatural amino acids: production and biotechnological potential.World journal of microbiology & biotechnology · 2019Review
- Peptoids advance multidisciplinary research and undergraduate education in parallel: Sequence effects on conformation and lipid interactions.Biopolymers · 2019Article
- Documenting and harnessing the biological potential of molecules in Distributed Drug Discovery (D3) virtual catalogs.Chemical biology & drug design · 2017Article
- Solid-Phase Synthesis of Amine/Carboxyl Substituted Prolines and Proline Homologues: Scope and Limitations.Molecules (Basel, Switzerland) · 2016Article
- WebChem Viewer: a tool for the easy dissemination of chemical and structural data sets.BMC bioinformatics · 2014Article
- Unexpected hydrolytic instability of N-acylated amino acid amides and peptides.The Journal of organic chemistry · 2014Article
- Comprehensive survey of chemical libraries for drug discovery and chemical biology: 2009.Journal of combinatorial chemistry · 2010Review
- Solid-phase synthetic route to multiple derivatives of a fundamental peptide unit.Molecules (Basel, Switzerland) · 2010Article
- Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound.Journal of combinatorial chemistryArticle
- Distributed Drug Discovery, Part 1: linking academia and combinatorial chemistry to find drug leads for developing world diseases.Journal of combinatorial chemistryArticle
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Authors and funding
16 authors at 1 institution in 1 country.
Funding
Abstract
Distributed Drug Discovery (D(3)) proposes solving large drug discovery problems by breaking them into smaller units for processing at multiple sites. A key component of the synthetic and computational stages of D(3) is the global rehearsal of prospective reagents and their subsequent use in the creation of virtual catalogs of molecules accessible by simple, inexpensive combinatorial chemistry. The first section of this article documents the feasibility of the synthetic component of Distributed Drug Discovery. Twenty-four alkylating agents were rehearsed in the United States, Poland, Russia, and Spain, for their utility in the synthesis of resin-bound unnatural amino acids 1, key intermediates in many combinatorial chemistry procedures. This global reagent rehearsal, coupled to virtual library generation, increases the likelihood that any member of that virtual library can be made. It facilitates the realistic integration of worldwide virtual D(3) catalog computational analysis with synthesis. The second part of this article describes the creation of the first virtual D(3) catalog. It reports the enumeration of 24,416 acylated unnatural amino acids 5, assembled from lists of either rehearsed or well-precedented alkylating and acylating reagents, and describes how the resulting catalog can be freely accessed, searched, and downloaded by the scientific community.
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