Docking Studies of Components of Tulsi and Mamejavo against Plasmodium Lactate Dehydrogenase
K Panchal Hetal, A Trivedi Ratna, B Desai Pratibha, Dolat Usha · 2013
WHO estimates rank malaria as one of the top three killers among infectious diseases. Though many drugs are available for treatment of malaria, malarial parasite especially Plasmodium falciparum quickly develops resistance under selective drug pressure. Hence we require an array of new drugs for malaria treatment. Lactate dehydrogenase (LDH) is an essential enzyme that catalyses the interconversion of pyruvate and lactate with concomitant conversion of NADH and NAD + . Being an important enzyme of glycolysis for energy production it may prove good target for antimalarial drugs. In our study we retrieved Plasmodium LDH structures from PDB and used them as a drug target protein. Different structures of components of tulsi – Ocimum sanctum and mamejavo – Enicostema littorale were retrieved from PubChem and Zinc databases and docking was performed using Argus lab and Swissdock softwares. In this comparative study we found Argus lab more effective than Swissdock as it can give the results of e-value. Components of tulsi and mamejavo like apigenin, luteolin, carvacrol and rosmarinic acid with Argus lab and ajmalicine, swertiamarin, laminaribiose, catechin with Swissdock found effective against Plasmodium LDH enzyme in our docking study. We found in silico drug docking a better approach to check utility of any chemical as a drug before going through any in vivo or in vitro analysis to shorten out the experiments and cost cutting.