IN-SILICO DESIGN OF THE 6-((DIMETHYLAMINO)(METHYLAMINO)METHYL)-N-(1- METHYLPIPERIDIN-4-YL) PYRIMIDO[5,4-D]PYRIMIDIN-2-AMINE MOLECULE AS A INHIBITOR FOR THE RIBOSWITCH OF VIBRIO CHOLERA BACTERIA
Cholera pandemics is caused by facultative pathogenic vibrio cholera bacteria persisting in the countries having warmer climatic conditions as well as presence of large water bodies with huge amount of organic matter, it is responsible for the millions of deaths annually. Presently the available therapy for cholera is Oral Rehydration Therapy (ORT) with an antibiotic drug. Excessive utilization of life saving antibiotics drugs leads to the development of resistance by the infectious micro¬organism against the antibiotic drugs resulting in loss of effectiveness of these drugs. Also many side effects are also associated with the use of these antibiotic drugs. Thus riboswitch is explored as an alternative drug target for Vibrio cholera bacteria to overcome the problem of drug resistance as well as side effects associated with the antibiotics drugs. The bacterial riboswitch is virtually screened with 24407 ligands to get possible drug candidates. The 10 ligands showing best binding with the riboswitch are selected to design a pharmacophore, which has been utilized to design the inhibitor molecule (6-((dimethylamino)(methylamino)methyl)-N-(l-methylpiperidin d]pyrimidin-2-amine) by using the phenomenon of bioisosterism.
