Protein structural and sequence analysis of human ACE2 using prediction and modeling bioinformatics tools for diagnostics biomarkers and drug design features: an opinion study path

Leo Ozurumba-Dwight, Chunqing Song, Iliya Ndams, Mohammad Bello, E Avan Dalton, Nyerhowo Tonukari, Algasan Govender, Chinedu Ogbonna, Okezie Enwerre, Kenneth Iyevhobu, Titus Yinusa, Eno Ebenso, Chuka Emezue, I Okeke Malachy, Claude Muller, Joel Okpoghono, Emmanuel Obeagu, Innocent Osuya

Research output: Working paperPreprint

Abstract

Angiotensin converting enzyme-2 receptor (ACE2) present on human cell membrane surfaces is a critical receptor for SARS-CoV-2 to bind onto and invade cells. Severe burden caused by the recent COVID-19 pandemic was of global public health and economic importance. ACE2 protein has multi-functional roles and its expression on cell membrane surfaces influences COVID-19 pathogenesis.
Engagement of key bioinformatics tools that retrieves data from protein sequences can be compared with structure of ACE2 proteins from same individuals and patients of different clinical status for COVID-19 (for individuals that are non-infected, infected asymptomatic and symptomatic). This can either be from data obtained from disease states or from already deposited annotated data generated from past studies stored in protein databases. This can be geared towards investigating effectiveness of a pool of biological attributes such a structural neighbor profiles which help describe micro-environment of single amino polymorphisms (SAPs). Analysis can be done for SAPs (also known as non-synchronous single nucleotide polymorphism (nsSNPs). Then engage predictive and modeling tools to predict key mutational loci- particularly those involving SAPs and their functional significance in relation to association with disease states in known and predicted protein sequences. Generated biological data can contribute to ontology and associated molecular pathways. Similar data can be obtained from in-vivo studies in SARS-CoV-2 infected animal models.
This is an opinion study approach can open up paths to new designs and development protocols in therapeutics and diagnostics biomedicine.
Original languageEnglish
DOIs
Publication statusPublished - 6 Aug 2023

Publication series

NameCambridge Open Engage

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