Abstract

By and by the world is in a battle with the diseases like Malaria and Dengue with no prompt medicines accessible the scourge brought about by the Malaria and Dengue is expanding step by step. A ton of researchers are continuing for the potential medication up-and-comer that could help the medical care framework in this battle. We present a docking?based screening using a quantum mechanical scoring of a library built from approved drugs ie Remdesivir, Hydroxy-chloroquine, Curcumin, Moroxydine, Artesunate Sulphate, Mefloquine, Doxycycline, Atovaquone, Indinavir, and compounds that are with Malaria and Dengue Mpro Proteins could display antiviral activity against these diseases. Clearly, these compounds should be further evaluated in experimental assays and clinical trials to confirm their actual activity against the disease. We hope that these findings may contribute to the rational drug design against Malaria and Dengue
 Keywords: Malaria, Dengue, Drug Repurposings, Computer Aid Drug Design, In silico drug development

Highlights

  • Dengue and Malaria has become a significant public issue over the globe

  • We present a docking‐based screening using a quantum mechanical scoring of a library built from approved drugs ie Remdesivir, Hydroxy-chloroquine, Curcumin, Moroxydine, Artesunate Sulphate, Mefloquine, Doxycycline, Atovaquone, Indinavir, and compounds that are with Malaria and Dengue Mpro Proteins could display antiviral activity against these diseases

  • These compounds should be further evaluated in experimental assays and clinical trials to confirm their actual activity against the disease. We hope that these findings may contribute to the rational drug design against Malaria and Dengue Keywords: Malaria, Dengue, Drug Repurposings, Computer Aid Drug Design, In silico drug development

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Summary

Introduction

Dengue and Malaria has become a significant public issue over the globe. As of twelfth of November 2020, more than 3.79 billion cases have been accounted for in 210 nations and domains (World meter, 2020). 5zqk is a 2 chain structure with sequence from Dengue virus 2 NS5 is a nonstructural protein essential for flavivirus RNA replication with dual MTase and RdRp enzyme activities and constitutes a major drug target. This protein functions as a signal peptide for NS4B It is involved in fusion of virus membrane with host membrane, virion attachment to host cell, and viral RNA genome replication. Owing to these activities it plays an important role in viral replication Making it a very interesting target for the development of specific antiviral inhibitor Proteins for Malaria Circumsporozoite Protein - surface antigen. Erythrocyte adherence is directly associated with severe malaria and increased disease lethality, and it is mediated by the PfEMP1 family.This protein is critical for cytoadherence Targeting this protein could disrupt the parasite cytoadherence system and reduce the lethality

Ligand Screening
Residue Analysis
Results and Discussion
Conclusion
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