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Structural requirements of some derivatives based on natural alkaloid lycorine for their dengue inhibitory activity to accelerate dengue drug discovery efforts

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Title Statement Structural requirements of some derivatives based on natural alkaloid lycorine for their dengue inhibitory activity to accelerate dengue drug discovery efforts
 
Added Entry - Uncontrolled Name Awasthi, Monika ; Dr. Harisingh Gour University
Amin, Sk. Abdul ; Dr. Harisingh Gour University
Shukla, Vijaya ; Dr. Harisingh Gour University
Jain, Sanskar ; Dr. Harisingh Gour University
Patil, Umesh Kumar; Dr. Harisingh Gour University
Gayen, Shovanlal ; Dr. Harisingh Gour University
UGC, India
 
Uncontrolled Index Term utilization of plants and animals in broader sense, multidisciplinary especially of applied nature
ADMET, Dengue, Lycorine, MLR, Natural alkaloid, NS4A, QSAR.
 
Summary, etc. <p><span>Dengue virus (DENV) is one of the life threatening problems in tropical countries including India. During the last few decades, 50-100 million dengue viral infections were reported specially in Asia and Pacific region. In search of novel DENV inhibitor, the present study tried to correlate the DENV inhibitory data with a series of natural alkaloid lycorine derivatives. A statistically robust QSAR model is generated [</span><em>R</em><span> = 0.944; = 0.865; </span><em>Q<span>2</span> </em><span>= 0.741; = 0.51593; = 0.826] with five descriptors such as </span><em>GATS2c</em><span>, </span><em>ZMIC3</em><span>, </span><em>T_N_O_7</em><span>, </span><em>Quadrupole1</em><span> and </span><em>nHsNH2</em><span>. The reliability of the model was confirmed by Golbraikh and Tropsha acceptable model criteria. The QSAR result suggests that the hydroxyl group as well as linear aliphatic at R</span><span>1</span><span> position is very important for the biological potency, whereas, amino and ether substituent at the R</span><span>2 </span><span>is detrimental. The study also revealed that bulky esterification at the R</span><span>2</span><span> is not tolerable. Additionally, lead molecule showed good absorption, distribution, metabolism, excretion and toxicity (ADMET) properties. The findings may be useful to design potent lycorine-based anti-dengue compounds in future.</span></p>
 
Publication, Distribution, Etc. Indian Journal of Natural Products and Resources (IJNPR) [Formerly Natural Product Radiance (NPR)]
2016-11-28 13:23:53
 
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http://op.niscair.res.in/index.php/IJNPR/article/view/13494
 
Data Source Entry Indian Journal of Natural Products and Resources (IJNPR) [Formerly Natural Product Radiance (NPR)]; ##issue.vol## 7, ##issue.no## 3 (2016): September 2016
 
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Nonspecific Relationship Entry http://op.niscair.res.in/index.php/IJNPR/article/download/13494/46808
 
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