Targeting Circumsporozoite Protein of Malaria with Norcaesalpinin E From Caesalpinia Crista: an in Silico Study for Antimalaria Herbal

EasyChair Preprint 7196

Abstract

Malaria is a parasitic sickness that is commonly found in developing countries and tropical climates such as Indonesia. The pint of the study was to decide the bioactivity of Norcaesalpinin E from Caesalpinia crista for antimalarials based on a switch docking studies. Circumsporozoite protein in Plasmodium falciparum is one of the new targets of antimalarial drugs being developed. In this study, molecular docking analysis was carried out to describe the interaction of Norcaesalpinin E with circumsporozoite protein using PyRx 0.8 programming. Prediction and significant descriptor of Physicochemical Properties, Lipophilicity, Pharmacokinetics and Druglikeness properties of compounds were predicted using Swissadme. The results showed that the Norcaesalpinin E compound in Caesalpinia crista had potential as an antimalarial based on its binding affinity and intermolecular interactions. The binding affinity of Norcaesalpinin E with Circumsporozoite Protein is -7.6, while the binding affinity of Circumsporozoite Protein with the control compound Quinine Sulphate is -7.1. The druglikeness prediction shows that Norcaesalpinin E meets Lipinski, Ghose, Veber, Egan and Muegge rules with a Bioavailability score of 0.55.

Keyphrases: Caesalpinia crista, Malaria, Norcaesalpinin E, in silico

@booklet{EasyChair:7196,
  author    = {Nur Pratiwi and Aryadi Arsyad and Ika Yustisia},
  title     = {Targeting Circumsporozoite Protein of Malaria with Norcaesalpinin E From Caesalpinia Crista: an in Silico Study for Antimalaria Herbal},
  howpublished = {EasyChair Preprint 7196},
  year      = {EasyChair, 2021}}