Corante

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DBL%20Hendrix%20small.png College chemistry, 1983

Derek Lowe The 2002 Model

Dbl%20new%20portrait%20B%26W.png After 10 years of blogging. . .

Derek Lowe, an Arkansan by birth, got his BA from Hendrix College and his PhD in organic chemistry from Duke before spending time in Germany on a Humboldt Fellowship on his post-doc. He's worked for several major pharmaceutical companies since 1989 on drug discovery projects against schizophrenia, Alzheimer's, diabetes, osteoporosis and other diseases. To contact Derek email him directly: derekb.lowe@gmail.com Twitter: Dereklowe

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« Is Glyphosate Poisoning Everyone? | Main | E. O. Wilson's "Letters to a Young Scientist" »

May 1, 2013

Best Sites for a Medicinal Chemist?

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Posted by Derek

I'm going to be traveling today, mostly through airports without good Wi-Fi (for which read "Wi-Fi that they don't want me to pay $10 for during my 90-minute layover"). But I wanted to put out a question sent in by a reader that I think would be worthwhile:

What are the best web sites for a medicinal chemist to have bookmarked? Resources for medicine and biology, organic chemistry, analytical chemist, and pharma development would be appropriate. There are shorter lists available here and there, but I don't think that there's One Big List that easily findable, and I think that there needs to be one. Suggestions in the comments - that should put together something pretty useful.

Comments (31) + TrackBacks (0) | Category: Blog Housekeeping


COMMENTS

1. D-Not on May 1, 2013 7:28 AM writes...

surely you must have lounge access. they provide some refreshments and free Wi-Fi.

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2. Hap on May 1, 2013 8:55 AM writes...

I didn't think Dr. Lowe flew that much - besides, if airlines are charging for baggage and food (surprised they don't install pay toilets on planes to improve the experience), they would probably charge for lounge access (an annual fee, unless you or your company pays for a lot of travel).

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3. Anonymous on May 1, 2013 8:59 AM writes...

The azeotrope database. I don't use it much, but it is invaluable when needed.

http://www.chemeng.ed.ac.uk/people/jack/azeotrope/

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4. anon on May 1, 2013 10:16 AM writes...

it's not voodoo is pretty helpful for beginners.
http://chem.chem.rochester.edu/~nvd/

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5. JC on May 1, 2013 10:44 AM writes...

www.monster.com

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6. DCRogers on May 1, 2013 10:55 AM writes...

> airports without good Wi-Fi (for which read "Wi-Fi that they don't want me to pay $10 for during my 90-minute layover")

I think you meant: "Wi-Fi that they WANT me to pay $10 for during my 90-minute layover", unless you are making the more subtle comment that public Wi-Fis are poorer quality than pay-for Wi-Fis.

Carry on.

@5, funny

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7. glinkst on May 1, 2013 11:46 AM writes...

@JC#5
Funny!

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8. Flatland on May 1, 2013 12:39 PM writes...

Four easy ones:
Organic Spectral Database (http://sdbs.riodb.aist.go.jp/sdbs/cgi-bin/direct_frame_top.cgi)- Where does my starting material show up in X characterization technique or name that impurity

Reaxys (https://www.reaxys.com/reaxys_new/secured/search.do?info=yes)- Beilstein's replacement, When you need to look up obscure property data, or the reference to X compound is from before ~1980.

Scifinder (https://scifinder.cas.org/scifinder)-For when the reference is after 1980.

Patent2PDF (http://www.pat2pdf.org/)- Turns USPTO sequential TIFF image patents (TIFF images? That require special plugins? Really?) into one nice PDF, for FREE (just plug in patent number)!

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9. Philip on May 1, 2013 12:46 PM writes...

http://pipeline.corante.com/

But it comes after JC's suggestion.


Sorry, I just could not help myself, for something so obvious.

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10. Hap on May 1, 2013 12:53 PM writes...

Maybe Matthew Herper at Forbes?

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11. Chemjobber on May 1, 2013 1:05 PM writes...

Would Kinase Pro be a good place for a beginner in the field?

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12. Vaudaux drug discovery on May 1, 2013 1:13 PM writes...

As a non-chemist, I use Wikipedia regularly as a chemistry resource - to look up structures of piperidine, morpholine, quinazoline, etc; or to find CAS numbers as well as structures of drugs or other chemicals.

For antibacterial drug discovery, the following are useful:

o http://prod.hopkins-abxguide.org/diagnosis/index.html?siteId=153&categoryId=150
Johns Hopkins ABX Guide:
Excellent quick guide to infections and antibiotics.
- In the Diagnosis section, you can look up infections by organ system (eg, respiratory, cardiac) and get a feeling of what bacterial species cause which infections and how they are diagnosed and treated.
- Searching for an organism (eg, Pseudomonas aeruginosa) will pull up all the entries in which that species is mentioned
- Nicknames and jargon such as pneumococcus or nonfermenter are tolerated.
- You can also look up antibiotics by class (cephalosporin) or individual names (ceftazidime).

Wikipedia:
Very good on antibiotics and on some aspects of bacterial disease
o http://en.wikipedia.org/wiki/Pathogenic_bacteria#Clinical_characteristics
o http://en.wikipedia.org/wiki/List_of_infectious_diseases
o http://en.wikipedia.org/wiki/List_of_antibiotics
- This last is particularly useful if you are wondering what drugs are included in the aminoglycosides or which are the third-generation cephalosporins.
- Includes some information on what types of infections are treated with each drug and also on the mechanism of action (eg, inhibition of protein synthesis)

o http://www.idsociety.org/IDSA_Practice_Guidelines/
Infectious Disease Society of America Practice Guidelines
- Authoritative articles on current standards for treatment of various infections (eg, community-acquired pneumonia, complicated intra-abdominal infections, etc)
- Also guidelines on topics like antibiotic stewardship

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13. myma on May 1, 2013 1:16 PM writes...

chemspider

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14. Flatland on May 1, 2013 1:25 PM writes...

I don't think that Corante likes it when I post links :|. When Derek approves my post, links shall follow.

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15. gradstudent on May 1, 2013 2:12 PM writes...

http://www.chem.wisc.edu/areas/organic/index-chem.htm
Use this more than ANYTHING else for graduate organic synthesis...

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16. The Aqueous Layer on May 1, 2013 2:14 PM writes...

Kinase Pro hasn't been updated in three years, which means it's probably still pretty relevant....

;)

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17. Cardiff Chemist on May 1, 2013 4:42 PM writes...

@15 I wish I had known about that site during undergrad! The contents list alone would have been great for revision.

As a materials chemist, a resource I use a lot is http://www.nist.gov/srd/index.cfm. I mostly use it for XPS parameters, but I gather there are a lot of useful structural and kinetic databases in there too.

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18. Bobby Shaftoe on May 1, 2013 5:24 PM writes...

Two sites I use frequently are ChEMBL (https://www.ebi.ac.uk/chembl/) and canSAR (https://cansar.icr.ac.uk/). Very useful integration of chemical and biological data in each.

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19. Bobby Shaftoe on May 1, 2013 5:26 PM writes...

ChEMBL and canSAR both have integration of chemical and biological data.

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20. Handles on May 1, 2013 6:34 PM writes...

Obvious to many, but I use the Sigma Aldrich website a lot, for physical property data and spectra, and proper GHS format Safety Data Sheets.

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21. Anonymous on May 1, 2013 7:27 PM writes...

http://www.organic-chemistry.org/

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22. Nick K on May 1, 2013 7:36 PM writes...

For the synthetic organic chemist looking for reaction conditions the venerable Org Syn (www.orgsyn.org) is indispensable.

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23. MEF on May 2, 2013 7:29 AM writes...

The Cambridge Med Chem Consulting website has some nice tutorials and info on ADME, bioisosteres, etc

http://www.cambridgemedchemconsulting.com/resources/

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24. b on May 2, 2013 8:09 AM writes...

has anyone suggested this one yet?:
http://www.esls.lib.wi.us/unemployment_resources.htm

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25. Anonymous on May 2, 2013 10:27 AM writes...

what has happened to kinase-pro? Does anyone know?

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26. Chemist For Life on May 2, 2013 11:48 AM writes...

Along with more general content websites, I believe in going directly to the source of current breakthrough research. That's why each week I trawl through the abstracts of a carefully chosen set of scientific and medical journals. Those I'm particularly interested in, I obtain and read. My bias is toward oncology research, as may be obvious from the list below. I find this method very educational and enlightening - and I feel I'm keeping up with current research and thinking. There are probably many more one could add to the list, but one has to draw the line at some point!

Journal of Medicinal Chemistry
ACS Medicinal Chemistry Letters
Bioorganic and Medicinal Chemistry Letters
ACS Chemical Biology
Journal of Organic Chemistry
Angewandte Chemie International Edition
Nature Reviews Drug Discovery
Nature Reviews Clinical Oncology
Nature Reviews Medicine
Nature Reviews Biotechnology
Cell
Cancer Cell
Molecular Cancer Therapeutics
Cancer Research
New England Journal of Medicine

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27. Anonymous on May 2, 2013 3:11 PM writes...

http://www.drugbank.ca/

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28. Chris Swain on May 3, 2013 6:31 AM writes...

I'd also put in a plug for ChemSpider, I'd also encourage people to sign up as editors to add/correct information.

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29. bad wolf on May 3, 2013 9:39 AM writes...

Got to admit i'm a little disappointed with the results of this open call.

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30. RS on May 6, 2013 4:32 AM writes...

Hugo Kubinyi's webpage http://www.kubinyi.de/ contains lecture slides for some basic and useful stuff.

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31. Modcraft on May 9, 2013 12:31 AM writes...

chemicalize.org from ChemAxon

http://www.surechem.com/ use SureChem Open

pubchem
http://pubchem.ncbi.nlm.nih.gov/

emolecules and chemspider

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