Cheminformatic analysis of natural product-based drugs and chemical probes (Record no. 54724)

MARC details
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fixed length control field 01751nam a2200205Ia 4500
003 - CONTROL NUMBER IDENTIFIER
control field MX-MdCICY
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20250625162452.0
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Transcribing agency CICY
090 ## - LOCALLY ASSIGNED LC-TYPE CALL NUMBER (OCLC); LOCAL CALL NUMBER (RLIN)
Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) B-20638
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245 10 - TITLE STATEMENT
Title Cheminformatic analysis of natural product-based drugs and chemical probes
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Volume/sequential designation Natural Product Reports, 39(1), p.20-32, 2022
520 3# - SUMMARY, ETC.
Summary, etc. Natural products continue to play a major role in drug discovery, with half of new chemical entities based structurally on a natural product. Herein, we report a cheminformatic analysis of the structural and physicochemical properties of natural product-based drugs in comparison to top-selling brand-name synthetic drugs, and a selection of chemical probes recently discovered from diversity-oriented synthesis libraries. In this analysis, natural product-based drugs covered a broad range of chemical space based on size, polarity, and three-dimensional structure. Natural product-based structures were also more prevalent in top-selling drugs of 2018 compared to 2006. Further, the drugs clustered well according to biosynthetic origins, but less so based on therapeutic classes. Macrocycles occupied distinctive and relatively underpopulated regions of chemical space, while chemical probes largely overlapped with synthetic drugs. This analysis highlights the continued opportunities to leverage natural products and their pharmacophores in modern drug discovery.
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Stone, S.
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Newman, D. J.
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Colletti, S. L.
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Tan, D. S.
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="https://drive.google.com/file/d/1GZIbjFJayr3vj_1msRTRV2AMpFNeKOpl/view?usp=drivesdk">https://drive.google.com/file/d/1GZIbjFJayr3vj_1msRTRV2AMpFNeKOpl/view?usp=drivesdk</a>
Public note Para ver el documento ingresa a Google con tu cuenta: @cicy.edu.mx
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Source of classification or shelving scheme Clasificación local
Koha item type Documentos solicitados
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Lost status Source of classification or shelving scheme Damaged status Not for loan Collection Home library Current library Shelving location Date acquired Total checkouts Full call number Date last seen Price effective from Koha item type
  Clasificación local     Ref1 CICY CICY Documento préstamo interbibliotecario 25.06.2025   B-20638 25.06.2025 25.06.2025 Documentos solicitados