This paper is published in Volume-7, Issue-4, 2021
Area
Bioinformatics And Computational Biology
Author
Swarnali Sarkar
Org/Univ
Vellore Institute of Technology, Vellore, Tamil Nadu, India
Pub. Date
24 August, 2021
Paper ID
V7I4-1832
Publisher
Keywords
Malaria, Falcipain2 Inhibitors, QSAR, Docking

Citationsacebook

IEEE
Swarnali Sarkar. Anti-malarial drug therapy employing falcipain2 inhibitors, International Journal of Advance Research, Ideas and Innovations in Technology, www.IJARIIT.com.

APA
Swarnali Sarkar (2021). Anti-malarial drug therapy employing falcipain2 inhibitors. International Journal of Advance Research, Ideas and Innovations in Technology, 7(4) www.IJARIIT.com.

MLA
Swarnali Sarkar. "Anti-malarial drug therapy employing falcipain2 inhibitors." International Journal of Advance Research, Ideas and Innovations in Technology 7.4 (2021). www.IJARIIT.com.

Abstract

Malaria is one of the most infectious disease affecting 300-500 million people every year. The increased resistance of the parasitic strains to anti-malarial drugs have made it all the more difficult to combat the disease at an early stage. Therefore, there is an immediate need to come up with novel strategies to arrest the spread of infection. We have been able to conclude that falcipain2, cysteine protease from P.falciparum is mainly responsible for degradation of haemoglobin and thus inhibitors of falcipain2 will block the hydrolysis of haemoglobin, preventing the further spread of infection. This article mainly focuses on the identification of new drug targets for antimalarial therapy and characterization of falcipain2 inhibitors by carrying out docking studies and statistical analysis. We have used docking softwares to identify the specific conformations of ligands that show the maximum binding affinity with the target and further analysed these results by generating descriptors manually to perform QSAR. We have made use of regression studies to perform similarity analysis by generating optimum models using statistical software. The models were generated with r2 =0.99, r2cv= 0.99, s= 0.002 when Ds and GATS8s descriptors were correlated. The main classes of falcipain2 inhibitors include peptides comprising of vinyl sulphones, aldehydes, and ketone groups7. These peptides were tested for anti-malarial activity and two potential hits were identified.