Carlos Polanco, Alberto Huberman, Vladimir N. Uversky, Enrique Hernández-Lemus E, Mireya Martínez-Garcia, Martha Rios Castro, Claudia Pimentel Hernández, Thomas Buhse, Gilberto Vargas-Alarcon, Francisco J. Roldan Gomez, Erika Jeannette López Oliva
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Bioinformatics Insights on the Physicochemical Properties of Hepatitis Virus Envelope Glycoproteins
Background: Globally, hepatitis B and C infect 400 million people, more than 10 times the number of people living with HIV. In 2019, it was estimated that 1.1 million people died as a result of the disease (PAHO/WHO, January 2023). Objective: This study aimed to conduct a computational analysis of the proteins that express the hepatitis virus envelope glycoproteins in order to gain insight into their function. Method: Different computational tools were used to calculate the Polarity Index Method 2.0v (PIM 2.0v) profile (previously titled Polarity Index Method profile) and the Protein Intrinsic Disorder Predisposition (PIDP) analyzed for each sequence, in addition to computational tools that made it possible to revise these proteins at the genetic level. Results: Both the PIM 2.0v profile and the PIDP profile of various hepatitis B and C virus envelope glycoproteins were able to reproduce the structural and morphological similarities that they had previously. The presence of certain patterns in each of these profiles made this accomplishment feasible. Conclusion: Computational programs could reproduce characteristic PIM 2.0v profiles of the hepatitis B and C virus envelope glycoproteins. This information is useful for a better understanding of this emerging virus.
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Letters in Drug Design & Discovery publishes letters, mini-reviews, highlights and guest edited thematic issues in all areas of rational drug design and discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. The emphasis is on publishing quality papers very rapidly by taking full advantage of latest Internet technology for both submission and review of manuscripts. The online journal is an essential reading to all pharmaceutical scientists involved in research in drug design and discovery.
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