Apicoplast Import Protein Tic20 A Promising Therapeutic Molecular Target for Plasmodium falciparum: An In Silico Approach for Therapeutic Intervention

In 2009, apicortin was identified in silico as a characteristic protein of apicomplexans that also occurs in the placozoa, Trichoplax adhaerens. Since then, it has been found that apicortin also occurs in free-living cousins of apicomplexans (chromerids) and in flagellated fungi. It contains a partial p25-α domain and a doublecortin (DCX) domain, both of which have tubulin/microtubule binding properties. Apicortin has been studied experimentally in two very important apicomplexan pathogens, Toxoplasma gondii and Plasmodium falciparum. It is localized in the apical complex in both parasites. In T. gondii, apicortin plays a key role in shaping the structure of a special tubulin polymer, conoid. In both parasites, its absence or downregulation has been shown to impair pathogen–host interactions. Based on these facts, it has been suggested as a therapeutic target for treatment of malaria and toxoplasmosis.

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Flavan-based phytoconstituents inhibit Mpro, a SARS-COV-2 molecular target, in silico

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2021.1960196 ◽

2021 ◽

pp. 1-15

Author(s):

Soham Mukherjee ◽

Deepika Sharma ◽

Ajay Kumar Sharma ◽

Shreya Jaiswal ◽

Nancy Sharma ◽

...

Keyword(s):

In Silico ◽

Molecular Target

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In silico identification and evaluation of potential interaction of Azadirachta indica phytochemicals with Plasmodium falciparum heat shock protein 90

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2018.11.017 ◽

2019 ◽

Vol 87 ◽

pp. 144-164 ◽

Cited By ~ 2

Author(s):

Michael Oluwatoyin Daniyan ◽

Oluwatoyin Tolulope Ojo

Keyword(s):

Plasmodium Falciparum ◽

Heat Shock ◽

Heat Shock Protein ◽

Azadirachta Indica ◽

In Silico ◽

Heat Shock Protein 90 ◽

Potential Interaction ◽

In Silico Identification

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Correction: A Systematic In Silico Search for Target Similarity Identifies Several Approved Drugs with Potential Activity against the Plasmodium falciparum Apicoplast

PLoS ONE ◽

10.1371/annotation/0bbd3579-5212-4dcf-a5ef-dd3d8e26f287 ◽

2013 ◽

Vol 8 (6) ◽

Cited By ~ 1

Author(s):

Nadlla Alves Bispo ◽

Richard Culleton ◽

Lourival Almeida Silva ◽

Pedro Cravo

Keyword(s):

Plasmodium Falciparum ◽

In Silico ◽

Potential Activity ◽

Approved Drugs

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Inhibitory Effect of Active Substances of Lollyfish (Holothuria atra) Against the Development of Plasmodium falciparum Based on In Silico Study

ILMU KELAUTAN Indonesian Journal of Marine Sciences ◽

10.14710/ik.ijms.25.4.135-142 ◽

2020 ◽

Vol 25 (4) ◽

pp. 135-142

Author(s):

Felly Moelyadi ◽

Prawesty Diah Utami ◽

Irmawati M. Dikman

Keyword(s):

Plasmodium Falciparum ◽

Antimalarial Drug ◽

In Silico ◽

Lethal Dose ◽

Artemisinin Resistance ◽

Inhibitory Effect ◽

In Silico Study ◽

Carbon Dioxide Co2 ◽

Holothuria Atra ◽

Active Substances

The high level of artemisinin resistance as the antimalarial drug makes the active substances found of lollyfish (Holothuria atra) become a very useful discovery as a new antimalarial drug. The purpose of this research is to find out the inhibitory effect of the active substances of lollyfish against the development of Plasmodium falciparum with in silico method. This is a one-shot experimental study research. Based on the test of potentially active substances of lollyfish through PubChem (https://pubchem.ncbi.nlm.nih.gov/), there are pyrogallol and catechin that have potential as the antimalarial drug. Pyrogallol, chlorogenic acid, catechin dan ascorbic acid have indirect inhibition to P. falciparum Orotidine 5-Monophosphate Decarboxylase (PfOMPDC) through carbon dioxide (CO2) and it is visualized by STITCH DB Version 5.0 (http://stitch.embl.de/). The binding affinity score of catechin, obtained from molecular docking, is higher than other substances and artemisinin. The Physicochemical and pharmacokinetic activity of the substance was predicted through SWISS ADME (http://www.swissadme.ch/index.php), while the toxicity was predicted through Pro-Tox (http://tox.charite.de/protox_II/). Catechin is a substance in lollyfish that is the safest because its lowest toxicity and very effective to be used as the antimalarial drug because of its high lethal dose 50 (LD50). Therefore, active substances in lollyfish have inhibitory effects against the development of P. falciparum based on in silico study.

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