Homology Modeling, Evaluation and Ligand-protein Interaction of Transcription Initiation Factor Like Protein of Leishmania donovani

Leishmaniasis is a protozoal disease which affects the world’s poorest population with endemic distribution in more than 80 countries around the world and has been considered as a major tropical disease by the world health organization (WHO), Transcription initiation factor like protein is a DNA interacting protein. It binds with DNA through TATA less promotor and initiates the transcription. A three dimensional structure of Transcription initiation factor like protein of Leishmania donovani was constructed by homology modeling from its amino acid sequence using Modeller 9v7. The stereo chemical validation of modeled protein has been done by PROCHECK and Profiles-3D scores. Virtual screening was performed using GOLD v2.1 and Discovery Studio. Based on dock score it is hypothesized that the compounds which have shown the highest binding affinity in GOLD and good score in Discovery Studio: Methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl) methyl]phenoxy]-3-(5-ethylpyridin-2-yl)butanoate; (2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl) sulfonylamino] propanoic acid; 5-[ [ 4 [ 2-( 5-ethylpyridin-2- yl ) ethoxy ] phenyl ] methyl ]- 5- methyl- 1,3-thiazolidine-2,4-dione;(2R)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid and [(1R,4S)-4-[2-amino-6-(cyclopropylmethylamino) purin-9-yl]cyclopent-2-en-1-yl]methanol; predicted as potential inhibitors of transcription initiation factor like protein of L.donovani.