Identification of new potential reservoirs of SARS-COV-2 among common Ugandan animals using molecular docking and sequence analysis
Abstract
In 2020, a beta coronavirus family member SARS-CoV-2, which causes a deadly respiratory
disease in humans, went global. One of the severely impacted nations by COVID-19 was
Uganda, especially during the second wave, which was caused by the omicron strain of the
virus. Since Uganda is the home to a significant amount of biodiversity and the disease is
recognized as a zoonotic one, SARS-CoV-2 infection in animals may act as a reservoir for the
virus, or facilitate its propagation from animals to humans. Forty-two different Ugandan
species' ACE2 amino acid sequences were gathered for this investigation from the NCBI
database. Using these, comparative evaluations of the secondary structures of the ACE2
proteins from the various species were conducted. In order to identify potential reservoirs in
this region, we used molecular docking and Multiple sequence alignment (MSA) approaches
with reference to Human ACE2 and SARS COV 2 Spike protein. In-silico molecular docking
of animal Angiotensin Converting Enzyme 2 receptors to the virus's S protein Receptor
Binding Domain and Root-Mean-Square Deviation calculation with reference to the known
host receptor 6M0J (human) showed that Macaca mulatta (Rhesus Monkey), Gorilla gorilla
gorilla (Western Gorilla) and Pan paniscus (Pygmy Chimpanzee) respectively, had the highest
potential to be SARS-CoV-2 reservoirs. These were trailed by Pan troglodytes, Piliocolobus
tephrosceles and Papio anubis respectively. Furthermore, Multiple sequence alignment
indicated that the ACE2 residues critical for interaction with the spike protein i.e. K31, E35,
D38, M82 and K353 were all conserved in the Western Lowland Gorilla, Chimpanzee, Pygmy
Chimpanzee, Ugandan Red Colobus, Olive Baboon, Rhesus Monkey and Green Monkey.