Since most nanoparticles work based on charge and disruption of bond, I dont know if nanoparticles or inorganic molecules would inhibit any particular protein, like organic molecules and natural compounds.
If this is possible, that inorganic molecules or nanoparticles can be docked with proteins, can this be done in AutoDock?
Thanks in Advance
Lokesh
As per my understanding, a nanoparticle is usually a carrier for drugs, that are to be delivered to target sites for inhibition of proteins such as enzymes. However docking an entire nanostructure seems interesting.
I recently went through a paper of this sort. Please have a look at this paper,
http://pubs.rsc.org/en/content/articlelanding/2013/ra/c3ra42534g/unauth#!divAbstract
I believe you will get some idea from this paper.
It can be achieved using the AutoDock software. We already published our results concerning molecular docking of different nanoparticles to P-glycoprotein. Please have a look at our paper entitled "Multidrug resistance protein P-gp interaction with nanoparticles (fullerenes and carbon nanotube) to assess their drug delivery potential: a theoretical molecular docking study".
http://www.ncbi.nlm.nih.gov/pubmed/24088267
Pritam Kumar,
How did you design the Gold Nano particle?
I am finding it hard to design the structure of nanoparticles. could you give me the name and protocol for designing the nanoparticle 3D structure. ?
Thanks
what is the strategy of capping a ligand to gold nanoparticle and proceed to dock the capped gold nanoparticle in a protein?
please suggest me, the protocol for docking of gold nanoparticle.
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