EventsThe 20th International Electronic Conference on Synthetic Organic Chemistry
Published
This submission belongs to the session e. Computational Chemistry of the event The 20th International Electronic Conference on Synthetic Organic Chemistry
Published date
01 Nov, 2016
Citation
Manik Ghosh, Kamal Kant, Uma Ranjan Lal, IN- SILICO DISCOVERY OF NATURAL LEAD HITS FROM THE GENUS OF Arisaema AGAINST HUMAN RHINO VIRUS, in Proceedings of The 20th International Electronic Conference on Synthetic Organic Chemistry, 1 November–30 November 2016, MDPI: Basel, Switzerland, doi: 10.3390/ecsoc-20-e004
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IN- SILICO DISCOVERY OF NATURAL LEAD HITS FROM THE GENUS OF Arisaema AGAINST HUMAN RHINO VIRUS

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1. Department of Pharmaceutical Sciences and Technology, Birla Institute of Technology, Mesra, Ranchi, Jharkhand (835215), INDIA
Abstract

Human rhino viruses (HRVs) serve as an imperative precursor for frequent cases of the common cold among children worldwide. An in-silico molecular docking attempt was made of some chief phytochemical entities (Arisaema plant species) as inhibitors of HRVs with selective therapeutic target action and minimal side effects. Around 60 phytoconstituents of different Arisaema species were docked against HRV receptor (PDB: 2XYA). Binding conformers of test ligands were compared with internal ligand. Finally, Syringaresinol 4'-O-β-D-glucopyranoside (glide score: -10.86), Rutin (glide score: -9.04) & Apigenin-6,8-di-C-β-D-glucopyranoside (glide score: -7.88) have resulted in most promising hits which can be further act as an effective template to experimentally validate or further designed their choosy and budding analogue agents against HRVSs.

Keywords
Arisaema
human rhino virus
docking
Manuscript
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