I am writing a program to extract all the details of drug such as target proteins, molecular structure, and many more so I can create a file which has all detailed information of a query drug.
Dear Doctor, a pool of eminent researchers have proposed a comprhensive list of molecular details that should be considered and gathered: minimum information about a bioactive entity (MIABE). You can find it in the attached files.
Dear Rashikesh,
I suggest to take the parameters included in the DrugBank for medicines. For example, see the following link which contains the parameters for amoxicillin (DrugBank of amoxicillin):
http://www.drugbank.ca/drugs/DB01060
Hoping this will be helpful,
Rafik
Thank you all for your help ... :)
I am familiar with databases like drugbank, pubchem, chemspide, zinc, etc
Just want the common important parameters present in all databases so I can create my own data base for my project.
Giovanni Lentini -
That was really a good supplements you provided (MIABE) :)
An approuved drug is characterized by hundreds of in vitro and in vivo experiments, which in many ways experess how the drug affect the body or the body affects the drug at molecular or phenotype levels. Most of those experiements cannot be expressed as single numbers. Hence, the way you describe a drug in your computer program largely depends on specific uses of the program.
You may use Binding database as a reference for the properties,
You may try including the following properties as per the utility of the program
Physicochemical properties, uses and hazards associated with the entity if relevant.
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