I was collecting information about the list of drugs designed/discovered using Computational Chemistry. Any inputs?
For this you have to go through different drug databases viz. drugbank, pubchem n more ..
Thanks Manoj for your reply. But i am searching for the list of drugs/clinically approved drugs, where CADD was involved in the development or design.
You know, first clinically approved HIV-1 integrase inhibitor is "5CITEP" (http://www.ncbi.nlm.nih.gov/pubmed/15055986) and autodock played vital role in the development of this integrase inhibitor. I was searching for this kind of examples, Where Computer-aided drug designing was involved in the development and discovery of inhibitors
Captopril, Dorzolamide, Saquinavir, Zanamivir, Oseltamivir, Aliskiren, Boceprevir, Nolatrexed, TMI-005, LY-517717, Rupintrivir and NVP-AUY922
Please find the attached research paper for more information.
Hi Rajesh,
Thanks for your reply.
Thanks for sharing the article. its very useful.
Regards,
Suneel
For downloading the clinical drugs you can go thorough the DrugBank webpage.
The link is as follows:
http://www.drugbank.ca/downloads#structures
Here, you can see different sets of drug molecules, classified as:
Approved Drugs, Experimental Drugs, Nutraceutical Drugs, Illicit Drugs and Withdrawn Drugs.
The downloaded molecules are in SDF format and can be opened via different molecular display softwares such as MolView or Discovery Studio.
I hope it helped.
Ahmad,
Assistant Professor of Computer-Aided Molecular Design,
- Badges
- Science topic