Abstract:
The primary objective of this study is to understand how a potential toxic effector of the type VI secretion system (T6SS) in Acinetobacter baumannii triggers the contraction of the Hemolysin-coregulated protein-1 (Hcp1) tail/tube and its propulsion to T6SS tip via the application of Artificial Intelligence frame work. Further, the virtual assessment of Hcp1 conformation associated with this secretory system was investigated by bioinformatics tools. Methods: The amino acid sequences of the Hcp1 of A. baumannii was retrieved from the GenBank database. AlphaFold2-DeepMind was used to generate the 3D structures of Hcp1 homohexameric and TagX toxic effector proteins (peptidoglycan hydrolyase). The molecular docking via AutoDock Vina program was performed to identify the amino acids involved in binding to the effector molecule within the homohexameric Hcp1 ring. The backbone and side chain rotational angles (Φ/Ψ) of the bond amino acids were determined based on the Dunbrack rotag rotamer library package.
Biography:
Prof. Shakibaie MR earned his PhD from the University of Pune India from 1992 to 1997. His thesis was entitled "Molecular Genetics of Plasmid Mediated Silver and Antibiotic Resistances in Acinetobacter baumannii”. Furthermore, He completed one-year postdoctoral research training in the Aquatic Microbial Lab of Mysore University, India in 2006. My research title was "Horizontal Gene Transfer in Gram-Negative Bacteria". Moreover, he has been working for 26 years in the Department of Microbiology and Virology, at Kerman University of Medical Sciences, Iran.He published more than 104 original research peer-reviewed papers and short communications in different international journals with high impact factors in microbiology and biotechnology. The total impact factor of his research is more than 57, with an h-index of 17 and a hi-index of 27. The research gate score index is 27.18 with a total citation of 1854, Publon H-index-18, and Scopus H-index 14. His research has also been cited in 5 textbooks of microbiology published in the USA and Europe. Similarly, he presented more than 42 papers at International and National Conferences and has made fundamental contributions in the areas of gene transfer, plasmid biology, molecular microbiology, nanotechnology, and bioinformatics. At present, he is a reviewer of Biomed Central and Elsev
