Computer-aided analysis of phytochemicals as potential dengue virus inhibitors based on molecular docking, ADMET and DFT studies

Qaddir Iqra; Rasool Nouman; Hussain Waqar; Mahmood Sajid

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Computer-aided analysis of phytochemicals as potential dengue virus inhibitors based on molecular docking, ADMET and DFT studies

机译：基于分子对接，备用和DFT研究的计算机辅助分析植物化学品作为潜在登革病毒抑制剂

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Background & objectives: Dengue fever, caused by dengue virus (DENV), has become a serious threat to human lives. Phytochemicals are known to have great potential to eradicate viral, bacterial and fungal-borne diseases in human beings. This study was aimed at in silico drug development against nonstructural protein 4B (NS4B) of dengue virus 4 (DENV4).

机译：背景和目标：登革热，由登革热病毒（Denv）引起的，已成为对人类生活的严重威胁。已知植物化学物质具有巨大的潜力来消除人类中的病毒，细菌和真菌疾病。本研究旨在针对硅药物发育的非结构蛋白4B（NS4B）的登革热病毒4（DENV4）。

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来源
《Journal of vector borne diseases》 |2017年第3期|共8页
作者
Qaddir Iqra; Rasool Nouman; Hussain Waqar; Mahmood Sajid;
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作者单位

Univ Management &

Technol Dept Chem Lahore Pakistan;

Univ Management &

Technol Dept Life Sci C-2 Johar Town Lahore Pakistan;

Univ Management &

Technol Dept Comp Sci Lahore Pakistan;

Univ Management &

Technol Dept Informat Lahore Pakistan;

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原文格式 PDF
正文语种 eng
中图分类寄生虫病;
关键词
ADMET; band energy gaps; DENV4-NS4B; DFT; molecular docking; phytochemicals;

机译：呼叫;乐队能量差距;DENV4-NS4B;DFT;分子对接;植物化学;

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1. Computer-aided analysis of phytochemicals as potential dengue virus inhibitors based on molecular docking, ADMET and DFT studies [J] . Iqra Qaddir, Nouman Rasool, Waqar Hussain, Journal of vector borne diseases. . 2017,第3期

机译：基于分子对接，ADMET和DFT研究的植物化学物作为登革热病毒潜在抑制剂的计算机辅助分析
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3. In Silico Inhibition of BACE-1 by Selective Phytochemicals as Novel Potential Inhibitors: Molecular Docking and DFT Studies | Bentham Science [J] . Nadia Arif, Andleeb Subhani, Waqar Hussain, Current drug discovery technologies . 2020,第3期

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Computer-aided analysis of phytochemicals as potential dengue virus inhibitors based on molecular docking, ADMET and DFT studies

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