I just finished my PhD recently in Drug discovery/medicinal chemistry/molecular microbiology from Strath Institute of Pharmacy and Biomedical Sciences, Uni of Strath, UK. Im MPharm holder from Uni of Strath too.
Discovery of novel antitb n antibacterial using chemical genetics n computational approach targeting phospholipid biosynthesis of microbes. It's a mixed between med chem & molecular microbiology
This post has been edited by giovanni: Mar 21 2013, 03:05 PM
Med chem mainly and computational analysis/modelling etc (although, I've not done this before).
I do agree that med chem (chemical synthesis, purification and analysis) is taxing but modelling itself is less laborious. I think molecular biology (gene cloning, deletion, mutagenesis, controlled-expression) is the worst of the three because it's very unpredictable. Things can just stop working for no apparent reason (even if you did everything right). My two cents.
Thanks! I did some searching and found this video. So the ligand-based virtual screening is a kind of computer-aided drug design which coupled with virtual combinatorial libraries and fragment spaces in making the drug discovery process more efficient. And your job is to design the new candidate drug and bind it with the tiny proteins (receptors) you model? With different types of virtual screening techniques available, how do you validate the method of systematically exploring the promising areas in chemical space and predict the success? In fact, I was intrigued by the concept of chemical space. And how vast is chemical space?
Yes, basically trying to design/model compounds that can target the enzyme. Virtual screening is only a form of prediction to narrow down the number of lead compounds (as diverse as possible in terms of structures) you need to buy for further testing. You verify the activity of these compounds through wet lab (in vivo or in vitro). There are many ways to do so. For example, you can do preliminary antibacterial testing via disc diffusion assay, or you can do biochemical assay to measure the reduction of end products due to inhibition of the enzyme in question by your inhibitors, or even saturation transfer NMR etc. There are multiple approaches.