Comparative Analysis of Different DNA-Binding Drugs for Leishmaniasis Cure: A Pharmacoinformatics Approach
作者： Nutan Chauhan , Ambarish Sharan Vidyarthi , Raju Poddar , None
DOI: 10.1111/J.1747-0285.2012.01329.X
关键词:
摘要: Several experiments have been performed to test DNA-binding drugs cure Leishmania infection. However, there are no details of pharmacoinformatics study. Herein, we selected a good number compounds from experimentally verified studies and comparative analysis based on techniques. In silico docking study was observe the molecular level interactions these known ligands with DNA receptor by automated computational using Glide. A comparison between calculated interaction energies in ADME/T made. agreement drug likeness rules, our suggests that seco-hydroxy-aza-CBI-TMI (compound 4b; GScore, −12.058) is potential molecule for targeting leishmaniasis.
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