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Comparing the performance of modified prostate specific membrane antigen's RNA aptamer analogues: a molecular docking and MD simulation study.

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14.06.2019 14:00 Age: 131 days

Comparing the performance of modified prostate specific membrane antigen's RNA aptamer analogues: a molecular docking and MD simulation study.

Category: Séminaires de l'équipe CT

Dr. Mehdi Sahihi, Université de Isfahan, Iran.

Lieu et heure: Salle N20bis, 3 eme étage, bâtiment Lavoisier, 14h.

Intervenant: : Dr. Mehdi SAHIHI

Université de Isfahan, Iran.

Résumé: 

Prostate cancer is one of the most common cancers in men and the second leading cause of cancer death in the western world. Prostate-specific membrane antigen (PSMA) is a type II membrane protein with the enzymatic activity that known as a prostate cancer biomarker because of its overexpression. Also, Aptamers are oligonucleotide molecules that bind to a specific target molecule and according to the aptamer’s advantages compared with the antibodies, aptamer-based therapeutics are being developed. The specific aptamer of PSMA, is an RNA with 70 nucleotides in length. However, due to the high reactivity of ribose sugar and inconsistency of the RNA too, providing the laboratory conditions will be expensive. So in this research, we use computational methods to understanding the effect of truncated aptamer that is reduced unnecessary nucleotides for more stability instead of 70mer RNA

aptamer. Also for the first time, in this study, the RNA is replaced with the same sequence of a single-stranded DNA (ssDNA) as an analogue because ssDNA is more stable than RNA.

Molecular docking and molecular dynamics simulation results show that single- stranded DNA aptamer in both 70mer and truncated (43mer) has better interaction’s parameters to PSMA. As a result, we can use them instead of RNA aptamer of PSMA. 

 


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