Dear all,
I have some compounds which good activity against some cancer cell lines (such as DU145 (Human prostate Cancer), MDA MB-231 (human breast cancer), etc.
Now I want to search for the probable drug targets for my compounds. What type of target screening I can perform to know the mechanistic study?
Please guide...
You can use a database, such as The Cancer Genome Atlas, to find out which oncogenic targets may be connected to a particular tumor type.
https://portal.gdc.cancer.gov/
I agree with Dmitri Kireev
I have a different approach for you to know all the proteins which you can target for your molecules then
1. Query the disease name in NCBI
2. You will get a list select the proteins from them filter according to the organism e.g Homo sapiens
3. From source database on left hand side select pdb. and filter it again based on the organism.
You will get a list of proteins which are related to particular disease and based on that you can select the best protein having low Resolution in PDB and the Literature Survey.
1. You can match them against molecules with known targets. Thereby you may guess the probable targets.
2. You may go for blind docking against known targets for your target cancer.
3. You can also use PASS server (http://www.pharmaexpert.ru/passonline/) that can tell the probable activity spectra of your molecules that can help you narrow down the targets.
Check the role of various enzymes/ proteins in propagating breast cancer in literature. Than check the most accessible target and drugs targeting it. also if u may find then do find and explore interactions of various known drugs against these targets using simulations.
In case of MDA-MB 231 you may check aromatase enzyme. .
You can search in PdB databank (number of cancer target) and according to your molecule do the blind dock and analyse.
- Badges
- Science topic