Angiotensin-Converting Enzyme 2 (ACE2) of marine biota: a preliminary study of potential therapy for SARS-CoV-2 infection

A new coronavirus, SARS-CoV-2, is responsible for the current pandemic causing severe respiratory disease. It has been known that the receptor for SARS-CoV-2 entry into the host cell is the angiotensin-converting enzyme 2 (ACE2). This receptor is expressed in a wide array of organs, for example, the...

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Bibliographic Details
Published in:Journal of physics. Conference series 2021-02, Vol.1747 (1), p.12004
Main Authors: Ambarwati, R, Rahayu, D A, Khaleyla, F, Wisanti, Putri, E K
Format: Article
Language:English
Subjects:
Binding energy
Conversion
Enzymes
Gastrointestinal system
Glycoproteins
Infections
Molecular docking
Organs
Physics
Proteins
Receptors
Respiratory diseases
Severe acute respiratory syndrome coronavirus 2
Swimming
Therapy
Vertebrates
Viral diseases
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Summary:A new coronavirus, SARS-CoV-2, is responsible for the current pandemic causing severe respiratory disease. It has been known that the receptor for SARS-CoV-2 entry into the host cell is the angiotensin-converting enzyme 2 (ACE2). This receptor is expressed in a wide array of organs, for example, the kidneys and gastrointestinal tract, but rarely present in the circulation. The soluble form of ACE2 proposed as a potential therapy for SARS-CoV-2 infection. This research aimed to explore angiotensin-converting enzyme 2 (ACE2) from marine biota as the source of ACE2, which is potential for the therapy of SARS-CoV-2 infection. This explorative study was conducted by retrieving the angiotensin-converting enzyme 2 (ACE2) from the database of protein (UniProt). The samples of the study were ACE2 of marine vertebrate, namely Delphinapterus leucas and ACE2 of marine invertebrate, namely Protunus trituberculatus. 3-D structures of ACE2 proteins unavailable in the protein database were modeled in Swiss Model. Molecular docking was conducted by using ClusPro.2.2. The data were analyzed descriptively. The molecular docking results revealed that the binding energy of spike glycoprotein of SARS-CoV-2 and human ACE2 was -988.5 kcal/mol. The binding energy of spike glycoprotein of SARS-CoV-2 and Delphinapterus leucas (Beluga whale) ACE2 was -946.4 kcal/mol. Meanwhile, the binding energy of spike glycoprotein of SARS-CoV-2 and Protunus trituberculatus (swimming crabs) ACE2 was -778.4 kcal/mol. The binding energy of spike glycoprotein of SARS-CoV-2 and Delphinapterus leucas (Beluga whale) ACE2 was closed to the binding energy of spike glycoprotein of SARS-CoV-2 and human ACE2. Hence, ACE2 of Delphinapterus leucas has the potential to be used as a therapeutic candidate from marine biota to suppress the SARS-CoV-2 transmission.
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/1747/1/012004