Therapeutics Insight with Inclusive Immunopharmacology Explication of Human Rotavirus A for the Treatment of Diarrhea

Abstract

Rotavirus is the most common cause of severe infant and childhood diarrhea worldwide, and the morbidity and mortality rate is going to be outnumbered in developing countries like Bangladesh. To mitigate this substantial burden of disease, new therapeutics such as vaccine and drug are swiftly required against rotavirus. The present therapeutics insight study was performed with comprehensive immunoinformatics and pharmacoinformatics approach. T and B-cell epitopes were assessed in the conserved region of outer capsid protein VP4 among the highly reviewed strains from different countries including Bangladesh. The results suggest that epitope SU1 (TLKNLNDNY) could be an ideal candidate among the predicted five epitopes for both T and B-cell epitopes for the development of universal vaccine against rotavirus. This research also suggests five novel drug compounds from medicinal plant Rhizophora mucronata Lamk. for better therapeutics strategies against rotavirus diarrhea based on 3D structure building, pharmacophore, ADMET, and QSAR properties. The exact mode of action between drug compounds and target protein VP4 were revealed by molecular docking analysis. Drug likeness and oral bioavailability further confirmed the effectiveness of the proposed drugs against rotavirus diarrhea. This study might be implemented for experimental validation to facilitate the novel vaccine and drug design.

Immunoinformatics Approach for Epitope-Based Peptide Vaccine Design and Active Site Prediction against Polyprotein of Emerging Oropouche Virus

“…Our selected 18 T-cell epitopes were 70.0% to 100.0% conserved which could ensure the acceptance of these predicted epitopes and indicate them as a potential vaccine candidate. Hossain et al showed 65.66% conserved epitope “TLKNLNDNY” as a potential vaccine candidate for universal vaccine design against rotavirus [ 82 ]. On the contrary, Hasan et al revealed 69.49% conserved epitope “YYYELYPTM” as a possible vaccine lead for vaccine design against Chikungunya virus [ 79 ].…”

Finding Potential Therapeutic Targets against Shigella flexneri through Proteome Exploration

“…As the selection of effective therapeutics targets are the crucial things for the vaccine and drug design (Hasan et al, 2015; Khan et al, 2015; Oany et al, 2015; Hossain et al, 2016a,b; Hossain and Oany, 2016d) as well as for the building of networking (protein-protein interaction; Hossain et al, 2016c), our subtractive strategy will have a great impact in therapeutics discovery against S. flexneri .…”

Urease: The Ultimate Therapeutic Target for Helicobacter Pylori

“…Thus, developing alternative therapeutics with higher efficacy and lower side effects is a burning necessity. In this scenario, phytochemicals could be an effective alternative [19][20][21][22]. Till date, very few studies have been conducted on plant derived compounds for the identification of novel therapeutics against H. pylori [11,14].…”