Structural modeling and docking studies of ribose 5-phosphate isomerase from Leishmania major and Homo sapiens: A comparative analysis for Leishmaniasis treatment

- In silico comparative analysis of ribose 5-phosphate isomerase (R5PI) type A and B.
- 3D model construction of analogous Leishmania major and Homo sapiens R5PI.
- 3D models were constructed combining comparative and ab initio modeling techniques.
- Active site characterization based on docking studies of the substrates R5P and 5RP.
- We propose two distinct reaction mechanisms (R5P↔5RP) catalyzed by LmRpiB and HsRpiA.