Abstract
Ascaris lumbricoides is the prevalent parasite causing ascariasis by infecting the human alimentary tract. This is common in the jejunum of small intestine. Therefore, it is of interest to describe the target protein β Carbonic Anhydrase involved in Ascariasis. Carbonic anhydrase (CAs, the metallo enzymes) is encoded by six evolutionary divergent gene families α, β,γ, δ, ζ, and η, which contain zinc ion in their catalytic active site. β-CA is found in plants, algae, fungi, bacteria, protozoans, arthropods, and nematodes and completely absent in vertebrate genomes. The absence of β-CA protein in vertebrate makes the enzyme an important target for inhibitory studies against helminthic infection. The sequence to function related information and 3D structure data for β-CA of Ascaris lumbricoides is not available. Hence, we modeled the 3D structure (using PRIME) for the molecular dynamics and simulation studies (using the Desmond of Schrodinger software) and interaction analysis (using STRING database). The β-CA protein found to be interacting with carbonic anhydrase protein family along with T27A3, alh13, mtp18, T22F3, gcy29 proteins. These results provide insights for the understanding of the functional and biological roles played by β CA. Hence, this data is useful for the design of drugs for Ascariasis.
Highlights
Carbonic anhydrases (CAs) have been recently identified as potential targets for novel anti-infective drugs
Ascariasis is a disease caused by the parasitic roundworm Ascaris lumbricoides
We modeled the 3D structure of A. lumbricoides β-CA (AlBCA) and analyzed the different physio chemical and functional properties which would help the researcher to do more advance studies related to function and role of β carbonic anhydrase as a target protein for Ascaris lumbricoides
Summary
Carbonic anhydrases (CAs) have been recently identified as potential targets for novel anti-infective drugs. CA’s are encoded by six evolutionary divergent gene families α, β, γ, δ, ζ, and η CAs. CA’s are encoded by six evolutionary divergent gene families α, β, γ, δ, ζ, and η CAs All members of these gene families are metallo enzymes containing zinc ion in their catalytic active site [1, 2]. Α-CAs are the most studied family including 13 catalytically active members in mammals: cytosolic enzymes (CA I, CA II, CA III, CA VII, and CA XIII), membrane-bound (CA IV, CA IX, CA XII, CA XIV, and CA XV), mitochondrial CAs (VA and CA VB), and secreted CA (VI). The β-CA genes are completely absent in vertebrate genomes and they are considered as potential targets for novel antihelminthic diseases [4]. Ascariasis is endemic disease, mainly found in tropical and temperate regions of the world, where there is sufficient moisture and in areas which have poverty, ignorance and low standard of hygiene and ISSN 0973-2063 (online) 0973-8894 (print)
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