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Monica Sharma
Monica Sharma
Department of Biotechnology, Delhi Technological University, Main Bawana Road, Shahbad Daulatpur, Delhi,
India
Publications
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Research Article
Denovo Designing, Virtual Screening and Lead Optimization of Potential Drug Candidate for Herpes Disease
Author(s): Monica Sharma, Puneet Rawat and Ankita MehtaMonica Sharma, Puneet Rawat and Ankita Mehta
Herpes simplex virus (HSV1, HSV 2) is a neurotropic and neuroinvasive virus which becomes latent and causes a lifelong infection. HSV-1 and 2 produce infected cell protein (ICP)-47 against MHC class I antigen presentation pathway by inhibiting the transporter associated with antigen processing (TAP). ICP 47 is also responsible for evasive nature of HSV in human immune system. Currently available antiviral drugs and vaccines only slowdowns the infection but it does not cure the infection. In present study, we have in silico designed a potential drug candidate against HSV ICP-47 target through de-novo pathway using eLEA3D. The derived ligand docked with the natural viral receptor ICP-47 showed the binding affinity of -4.07, but it was found toxic in FAF DRUG online ADMET tool, due to presence of high risk imine group. Further manual optimization led to generation of many bioisosteres an.. View More»
DOI: 10.4172/1948-5948.1000240