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- Title
In Silico Homology Modeling of Thymidylate synthase from the nematode Trichenilla spiralis.
- Authors
Somnath, Waghmare; Jaywant, Dhole; Shaha, Shabbir Yasin; Ramrao, Chavan
- Abstract
The 3D structure of a protein is a prerequisite for structure based drug design as well as for identifying the conformational epitopes that are essential for the designing vaccines. A 3-dimensional model (3D) was developed for the Thymidylate synthase of Trichenilla spiralis nematode. A homology modeling method was used for the prediction of the structure. For the modeling, one template protein was obtained by mGenTHERADER, namely the high-resolution X-ray crystallography structure of Human Thymidylate synthase (1HZW). By comparing the template protein a rough model was constructed for the target protein using SWISSMODEL, a program for comparative modeling. The model was validated using protein structure checking tools such as Verify3D for reliability. Conformational epitopes are mapped from the 3D structure of Thymidylate synthase of Trichenilla spiralis nematode modeled using the concept of an antigenic domain. The information thus discussed provides insight to the molecular understanding of Thymidylate synthase of Trichenilla spiralis. The predicted 3-D model may be further used in characterizing the protein in wet laboratory.
- Subjects
THYMIDYLATE synthase; HOMOLOGY (Biology); DRUG design; VACCINES; NEMATODES; EPITOPES
- Publication
Drug Invention Today, 2011, Vol 3, Issue 8, p183
- ISSN
0975-7619
- Publication type
Article