Bio-statistical Analysis of Orexinergic Receptor Interactions Data Set
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https://data.mendeley.com/datasets/4v38m5wpcj
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资源简介：
This dataset contains molecular docking results of 124 neem (Azadirachta indica) phytochemicals against human orexinergic receptors OX2 (PDB ID: 4S0V) and OX1 (PDB ID: 6V9S), alongside reference ligands Suvorexant (4S0V) and [(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone (6V9S). Docking was performed using AutoDock Vina, yielding binding energies (kcal/mol) for each compound-receptor pair against human orexinergic receptors OX2 (PDB ID: 4S0V) and OX1 (PDB ID: 6V9S), alongside reference ligands Suvorexant (4S0V) and [(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone (6V9S).
创建时间：
2025-03-28
