QUOTE(giovanni @ Mar 21 2013, 07:56 PM)
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.
I appreciate your explanation and I learned something new. Okay! You have completed your
magnum opus, submitted it to your thesis committee, and received permission to move onto the final step: defending your doctoral thesis. To be honest, the prospect of this ‘
viva voce’ seem
extremely daunting to me. Would you describe, what kind of skills have you used to defend your discovery of Novel anti-TB & antibacterial drugs during the oral exam? After all, did you
defend with a flamboyant confidence style? Then... what's next? ... Filing a New Drug Application (NDA)? And then how many controlled clinical trials does the new drug need to demonstrate its efficacy? I believe your anecdotes about thesis defense & NDA will be very helpful to the juniors.