Open AccessDocking Studies between the Predicted Model of Mouse Zinc Finger MYND Domain-Containing Protein 19 and Cofactor Product Adohcy; towards Drugs Development against Cancer, Obesity and Cardiovascular Diseases
Author(s) -
Bertin Mugabo,
Rene Iradukunda,
Jeanne Marie Gatanganwa,
Jean Chrisostome Ufitinema,
Dieudonné Mutangana
Publication year - 2021
Publication title -
rwanda journal of engineering, science, technology and environment
Language(s) - English
Resource type - Journals
eISSN - 2617-233X
pISSN - 2617-2321
DOI - 10.4314/rjeste.v4i1.3
Subject(s) - docking (animal) , homology modeling , zinc finger , computational biology , modeller , protein data bank , protein data bank (rcsb pdb) , protein structure prediction , protein structure , drug discovery , bioinformatics , structural alignment , biology , sequence alignment , medicine , genetics , biochemistry , transcription factor , peptide sequence , enzyme , nursing , gene
Mouse Zinc finger domain-containing protein19 (ZMYND19) is a zinc-finger protein questioned after recently published data reported its C-terminal domain of 49 residues to be associated with cancer, obesity and cardiovascular diseases. The potent drugs are suggested to come from its interactions with ligands understanding. However, the diseases are becoming worse because the three-dimensional structure of Mouse ZMYND19 is not yet reported. Thus, this study analyzed structural interactions between the predicted 3D structure and cofactor products S-Adenosyl homocysteine (AdoHcy) using the computational approaches. Pairwise sequence alignment was performed in the iterated mode of protein blast against protein data bank (PDB) and CLUSTAL omega server was used to perform multiple sequence alignment. Phylogenetic analysis was performed using the PHYLIP package. Structure prediction was successfully completed with the use of SWISS model by exploring homology modeling. The predicted Model structure was evaluated using both ERRAT and PROCHECK servers. Docking studies were performed with the HEX8 package. The evaluation results of the predicted 3D structure suggest that the model is of good quality. Docking studies revealed a high affinity (– 214.24 KjMol-1) between the predicted 3D model and AdoHcy ligand. The interaction between the bound molecules suggests both compounds to be good candidates for cancer, obesity, cardiovascular diseases, thus these two compounds could be considered at the frontline for a potent drug development.