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Basic learning required for drug designing - Printable Version

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Basic learning required for drug designing - bvs science freak - 07-22-2015

hi friends,
   I'm pursuing doctrate which has drug designing part. I know somewhat but not good enough to carry out this part. pls help me by suggesting some books , websites, tutorials for knowing the basics and practical bioinformatics to know about protein structure retrieval,  protein information retrieval, docking etc..

pls help me friends. thank you for all


RE: Basic learning required for drug designing - SunilNagpal - 07-23-2015

(07-22-2015, 05:57 PM)bvs science freak Wrote: hi friends,
   I'm pursuing doctrate which has drug designing part. I know somewhat but not good enough to carry out this part. pls help me by suggesting some books , websites, tutorials for knowing the basics and practical bioinformatics to know about protein structure retrieval,  protein information retrieval, docking etc..

pls help me friends. thank you for all

Hi,

Autodock has quite an exhaustive manual with crisp description of active-site - ligand docking/interaction. There are ample video tutorials for the same on youtube as well (believe me, they are among-st the best and most easily comprehendable). You may try Autodock vina too (minimal need for user interference). But I would suggest going for Autodock, than Vina.

Best book to follow for Molecular Modeling and learning basic and advanced concepts for drug designing would be Andrew Leach's [b]Molecular Modelling: Principles and Applications.[/b]

I strongly suggest against the use of multiple books and tools (you will end up confusing yourself).

For protein structure and information retrieval, digging deep into PDB is the best shot.

Following info from PDB will be of use (taken as it is from the website):
Best wishes


RE: Basic learning required for drug designing - bvs science freak - 07-24-2015

Thank u very much MR. Sunil Nagpal. I'll follow all those n enrich myself.If I've a doubt can i clarify with you?


RE: Basic learning required for drug designing - SunilNagpal - 07-24-2015

(07-24-2015, 03:00 PM)bvs science freak Wrote: Thank u very much MR. Sunil Nagpal. I'll follow all those n enrich myself.If I've a doubt can i clarify with you?

Please feel free, I'll be glad to assist (to whatever extent I can).

Best wishes!


RE: Basic learning required for drug designing - bvs science freak - 07-27-2015

I tried downloading autodock but i couldn't so far.how can i download and install?...or can u give me a link to download direct software. so that it will be helpful to follow the advice you gave for learning drug design


RE: Basic learning required for drug designing - bvs science freak - 07-27-2015

am using windows 7 os


RE: Basic learning required for drug designing - SunilNagpal - 07-27-2015

Hi,

You should be able to download Autodock from:
http://autodock.scripps.edu/downloads

The following tutorial would be great for you to start with the minimal requirements for the entire set-up:



Following one for Vina:

Hope it helps..

Let me know if there is any other query.

Best wishes



RE: Basic learning required for drug designing - bvs science freak - 07-29-2015

Thank you once again


RE: Basic learning required for drug designing - Manoj_Shastry - 11-25-2016

(07-23-2015, 04:26 PM)SunilNagpal Wrote:
(07-22-2015, 05:57 PM)bvs science freak Wrote: hi friends,
   I'm pursuing doctrate which has drug designing part. I know somewhat but not good enough to carry out this part. pls help me by suggesting some books , websites, tutorials for knowing the basics and practical bioinformatics to know about protein structure retrieval,  protein information retrieval, docking etc..

pls help me friends. thank you for all

Hi,

Autodock has quite an exhaustive manual with crisp description of active-site - ligand docking/interaction. There are ample video tutorials for the same on youtube as well (believe me, they are among-st the best and most easily comprehendable). You may try Autodock vina too (minimal need for user interference). But I would suggest going for Autodock, than Vina.

Why is Autodock better than Autodock Vina?


RE: Basic learning required for drug designing - kritikas - 01-14-2019

A lot of knowledge and a lot of luck will let you be successful. All of this costs money.

Insight into a novel target, mechanism or improved drug comes from understanding the field. Find a good lead small molecule or protein or … and hit the target. Or use a non-targeted approach. Make sure that you own the IP. Find a good animal model of the disease. Optimize your lead to a candidate with the desired properties. Test toxicology. Manufacture it reliably with a good formulation and stability. Test it in humans. Design and carry out your clinical trials properly. Show safety and efficacy. Have the proper paperwork. Get it approved. Sell it. Make a profit. Monitor safety and efficacy after launch. This is a partial list.

It takes a small army to make a successful drug. Your small part can contribute. There are many places to go wrong. In my experience, chemists and biologists working together perform most drug discovery. Lots of other people with different backgrounds are needed to make a drug. Work hard and become proficient in some aspect of drug discovery or development. Get a job in the industry. Enjoy your working life.