IMPS - Invalid Metabolic Panaceas & Improbable Leads
What are IMPS?
The existence of compounds with reported bioactivity for virtually any biological/pharmacological endpoint was demonstrated in 2016 in the following publication:
Bisson J, McAlpine J, Friesen JB, Chen SN, Graham J, Pauli GF
Can Invalid Bioactives Undermine Natural Product-Based Drug Discovery?
Journal of Medicinal Chemistry 59: 1671-1690 (2016)
dx.doi.org/10.1021/acs.jmedchem.5b01009
PubMedCentral: PMC4791574 [Open Access Article]
Termed Invalid Metabolic Panaceas, most IMPS are present in natural sources in relatively high abundance and represent largelyu over-studied and over-reported compounds.
Analytical Data Sets IMPS
In order to facilitate the unambiguous identification of IMPS, full sets of analytical data are being acquired by the Center for Natural Product Technologies (CENAPT) at UIC.
Annotated and Raw NMR Data Sets of IMPs
This data is published on the CENAPT Raw NMR Data Dataverse at https://dataverse.harvard.edu/dataverse/cenapt. The following raw and and annotaed IMP NMR datasets are available:
- Apigenin, DMSO-d6: DOI:10.7910/DVN/E5TGKA
- Berberin, DMSO-d6: DOI:10.7910/DVN/RWDW4I
- Caffeic acid, DMSO-d6: DOI:10.7910/DVN/4U11FG:
- Capsaicin, DMSO-d6: DOI:10.7910/DVN/F34GVS
- Catechin, DMSO-d6: DOI:10.7910/DVN/LTPMJH
- Curcumin, DMSO-d6: DOI:10.7910/DVN/SKGKLL
- A comprehensive review of the properties of curcumin has been published:
K. Nelson, J. Dahlin, J. Bisson, J. Graham, G. Pauli, M. Walters
The Essential Medicinal Chemistry of Curcumin
Journal of Medicinal Chemistry 60, 1620-1637 (2017)
dx.doi.org/10.1021/acs.jmedchem.6b00975
PubMedCentral: PMC5346970 [Open Access Article]
- A comprehensive review of the properties of curcumin has been published:
K. Nelson, J. Dahlin, J. Bisson, J. Graham, G. Pauli, M. Walters
- (p-)Cymene, CDCl3: DOI:10.7910/DVN/NIHKML
- Eleutheroside (Daucosterol-glucoside), DMSO-d6: DOI:10.7910/DVN/6XCYL6
- (-)Epicatechin, DMSO-d6: DOI:10.7910/DVN/ZZP5V0
- (-)Epigallocatechin gallate, DMSO-d6: DOI::
- Eucalyptol, CDCl3: DOI:10.7910/DVN/B8O296
- Eugenol, CDCl3: DOI:10.7910/DVN/9YSSMR
- Gallic acid, DMSO-d6: DOI:10.7910/DVN/EGT2IH
- Genistein, DMSO-d6: DOI:10.7910/DVN/Q60UKK
- Ginsenosides Rb1, DMSO-d6: DOI:10.7910/DVN/Z5G0WB
- Ginsenosides Rg1, CD3OD: DOI:10.7910/DVN/Y9A6DJ:
- Glycyrrhetinic acid/Enoxolone, DMSO-d6: DOI:10.7910/DVN/DONK0D
- Glycyrrhizin DMSO-d6: DOI:10.7910/DVN/2FOTDV
- Gossypol, CDCl3: DOI:10.7910/DVN/5F7II0
- Isoquercitrin, DMSO-d6: DOI:10.7910/DVN/XVM6GM
- Kaempferol, DMSO-d6: DOI:10.7910/DVN/B4IHJ7
- (D-)Limonene, CDCl3: DOI:10.7910/DVN/2UEA9M
- Linalool, CDCl3: DOI:10.7910/DVN/KUEDTG
- Linoleic acid, CDCl3: DOI:10.7910/DVN/UL7UJP
- Liquiritigenin, DMSO-d6: DOI:10.7910/DVN/UZM3NV
- Lupeol, CDCl3: DOI:10.7910/DVN/M8QR20
- Luteolin, DMSO-d6: DOI:10.7910/DVN/AQY4CX
- Myrcene, CDCl3: DOI:10.7910/DVN/BBYECY
- Myricetin, DMSO-d6: DOI:10.7910/DVN/PKEAZD
- Oleic acid, CDCl3: DOI:10.7910/DVN/X5B0OI
- Palmitic acid, CDCl3: DOI:10.7910/DVN/JZQ2LM
- (alpha-)Pinene, CDCl3: DOI:10.7910/DVN/FHTYTL
- (beeta-)Pinene, CDCl3: DOI:10.7910/DVN/SVZXAF
- Quercetin (dihydrate), DMSO-d6: DOI:10.7910/DVN/ELUTIL
- (trans-)Resveratrol, DMSO-d6: DOI:10.7910/DVN/MRSC3V
- Rutin, DMSO-d6: DOI:10.7910/DVN/ZAZDNM
- (beta) Sitosterol, CDCl3: DOI:10.7910/DVN/BZYA8H
- Stigmasterol, CDCl3: DOI:10.7910/DVN/LKPJF5
- Taxol, DMSO-d6: DOI:10.7910/DVN/5CBW8S
- Note that taxol is a valid drug lead and approved drug; a discussion of the reasons of taxol appearding in the list of IMPs can be found in K. Nelson, J. Dahlin, J. Bisson, J. Graham, G. Pauli, M. Walters
The Essential Medicinal Chemistry of Curcumin
Journal of Medicinal Chemistry 60, 1620-1637 (2017)
dx.doi.org/10.1021/acs.jmedchem.6b00975
PubMedCentral: PMC5346970 [Open Access Article]
- Note that taxol is a valid drug lead and approved drug; a discussion of the reasons of taxol appearding in the list of IMPs can be found in K. Nelson, J. Dahlin, J. Bisson, J. Graham, G. Pauli, M. Walters
- Tetrandrine, DMSO-d6: DOI:10.7910/DVN/SAC0TQ
- Ursolic Acid, DMSO-d6: DOI:10.7910/DVN/RXF88X
IMPS Part I :
How IMPs can undermine Natural Product-Based Drug Discovery
Bisson J, McAlpine J, Friesen JB, Chen SN, Graham J, Pauli GF. Can Invalid Bioactives Undermine Natural Product-Based Drug Discovery?
J. Med. Chem. 59: 1671-90 (2016) ResComplx Ser#28
IMPS Part II:
The Essential Medicinal Chemistry of Curcumin
K. Nelson, J. Dahlin, J. Bisson, J. Graham, G. Pauli, M. Walters
The Essential Medicinal Chemistry of Curcumin
Journal of Medicinal Chemistry 60, 1620 (2017)
LTTE:
ACS Medicinal Chemsitry Letters, 8, 467-470
Open Access Article Altmertics Statistics
Report in Nature
ACS Editorial in PAINS and IMPS
IMPS Part I :
How IMPs can undermine Natural Product-Based Drug Discovery
Bisson J, McAlpine J, Friesen JB, Chen SN, Graham J, Pauli GF. Can Invalid Bioactives Undermine Natural Product-Based Drug Discovery?
J. Med. Chem. 59: 1671-90 (2016) ResComplx Ser#28