Chaitali Lad‡, Ishan Panchal‡, Ashish Patel§, Afzal Nagani‡, Vruti Parikh‡, Harnisha Patel‡, Bhargav Bhimani|Corresponding author: Ishan Panchal ( ishanpharma@gmail.com ) © Chaitali Lad, Ishan Panchal, Ashish Patel, Afzal Nagani, Vruti Parikh, Harnisha Patel, Bhargav Bhimani. This is an open access article distributed under the terms of the Creative Commons Attribution License (CC BY 4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Citation:
Lad C, Panchal I, Patel A, Nagani A, Parikh V, Patel H, Bhimani B (2021) In silico analysis, synthesis and biological evaluation of DHFR inhibitors. Folia Medica 63(5): 745-759. https://doi.org/10.3897/folmed.63.e56786 |  |
Introduction: Malaria is one of the varieties of fatal diseases caused by a protozoan parasite that is now considered to be the greatest global health challenge. A parasite of Plasmodium species triggers it transmitting the disease to humans by the bites of female Anopheles mosquitoes.
Aim: To screen out designed molecules by molecular docking analysis and assess their pharmacokinetic properties using SwissADME. To synthesize the designed compounds. To characterize the synthesized compounds by TLC, melting point, IR spectroscopy, mass spectrometry, 1H NMR, and 13C NMR. To evaluate the synthesized compounds for antimalarial activity.
Materials and methods: In silico analysis was performed with SWISSADME, and molecular docking was performed by AutoDock Vina version 4.2. In vitro antimalarial activity study was performed.
Results: In-vitro studies of synthesized molecules showed that compounds C2 (IC50 1.23), C6 (IC50 0.48), C10 (IC50 0.79), and C14 (IC50 0.19) possess good antimalarial activity.
Conclusions: 7-chloroquinoline-piperazine derivatives exhibited potential antimalarial compounds for pf-DHFR inhibitors.