• Devanshi Gupta
• Dr Uma Kumari

In recent years it has been observed that aptamers are highly efficient target for drugs to inhibit the activity of a specific protein. Aptamers are present on various proteins in humans. To inhibit the activity of that specific protein, we can design the drug that binds to the aptamer which is present on that specific protein. We can conquer this task with in-silico drug designing (molecular docking). In this study we have taken the crystal structure of an RNA aptamer bound to human thrombin and check its binding affinity to dexamethasone. In this study we have checked the efficacy of dexamethasone as an anti-coagulant agent using autodock 4.0. The result shows promising but still further work is required in this to use the dexamethasone as an inhibitor for thrombin.Structural analysis in PyMOL platform for computational drug design representing macromolecule in different style including stick,sphere,ribbon.In nucleic acid modeling and in silico design, a full set of in silico methods can be applied, such as docking, molecular dynamics (MD), and statistical analysis ,docking score calculation as modeling workflow starts with structure prediction. Docking of target and aptamer is performed. which allows for an evaluation of the stability of aptamer/ligand complexes and determination of the binding energies with higher accuracy where aptamer/ligand interactions are analyzedinbetween mutations arestudied in aptamers.

"IN SILICO RNA APTAMER DRUG DESIGN AND MODELLING", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.9, Issue 4, page no.f718-f725, April-2022, Available :http://www.jetir.org/papers/JETIR2204592.pdf

"IN SILICO RNA APTAMER DRUG DESIGN AND MODELLING", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.9, Issue 4, page no. ppf718-f725, April-2022, Available at : http://www.jetir.org/papers/JETIR2204592.pdf