A Chemical Screening Strategy for the Dereplication and Prioritization of HIV-Inhibitory Aqueous Natural Products Extracts

1993 ◽  
Vol 56 (7) ◽  
pp. 1123-1129 ◽  
Author(s):  
John H. Cardellina ◽  
Murray H. G. Munro ◽  
Richard W. Fuller ◽  
Kirk P. Manfredi ◽  
Tawnya C. McKee ◽  
...  
Keyword(s):  
Natural Products ◽  
Screening Strategy ◽  
Chemical Screening

scholarly journals Structure-based Assessment of Homologous Analogues of Natural products: A computational approach to predict the therapeutic effects of natural products

2021 ◽  
Author(s):  
Aditya Rao ◽  
Nandini Shetty
Keyword(s):  
Natural Products ◽  
Screening Strategy ◽  
Therapeutic Effects ◽  
Biological Interactions ◽  
Strong Indication ◽  
Disease Condition ◽  
Novel Strategy ◽  
Dynamics Simulations ◽  
Current Screening ◽  
Activity Cliffs

Abstract The present study describes a novel strategy to screen natural products (NPs) for their therapeutic effects with the predicted mechanism of action. The method entitled 'Structure-based Assessment of Homologous Analogues of Natural products-SAHANA' follows the comparison of NPs against prescribed synthetic chemical drugs to deduce activity cliffs and core fragments, based on the molecular properties and 2-dimensional structural similarities. The method was applied to predict the biological effect of the identified NPs as antidiabetic molecules. Selected NPs were assessed for their pharmacokinetic and pharmacodynamics properties. The biological interactions and structural stability of the bound structures were evaluated using molecular docking and molecular dynamics simulations. The study yielded NPs with significant structural similarities to prescribed drugs. Further, their binding interactions stabilized the macromolecular structure. The results envisage a strong indication that the natural products can produce therapeutic effects efficiently if administered individually. The results also encourage using the current screening strategy to identify competent natural product drugs against any disease condition ad libitum.

Development of a dual screening strategy to identify pro-angiogenic compounds from natural products: application on Tongmai Yangxin Pills

RSC Advances ◽  
2016 ◽  
Vol 6 (116) ◽  
pp. 115308-115316 ◽  
Author(s):  
Lailai Li ◽  
Ningning Liu ◽  
Xiangdong Dai ◽  
Haifeng Yan ◽  
Ling Zhang ◽  
...  
Keyword(s):  
Natural Products ◽  
Screening Strategy ◽  
First Time

Establishment and application the dual-screening strategy to screen pro-angiogenic compounds from natural products for the first time.

A novel strategy for screening new natural products by a combination of reversed-phase liquid chromatography fractionation and 13C NMR pattern recognition: the discovery of new anti-cancer flavone dimers from Dysosma versipellis (Hance)

RSC Advances ◽  
2015 ◽  
Vol 5 (95) ◽  
pp. 77553-77564 ◽  
Author(s):  
Zhi Yang ◽  
Youqian Wu ◽  
Hui Zhou ◽  
Xiaoji Cao ◽  
Xinhang Jiang ◽  
...  
Keyword(s):  
Pattern Recognition ◽  
Natural Products ◽  
Liquid Chromatography ◽  
Reversed Phase ◽  
Screening Strategy ◽  
Reversed Phase Liquid Chromatography ◽  
Dysosma Versipellis ◽  
Anti Cancer ◽  
Phase Liquid ◽  
Novel Strategy

A new screening strategy for the discovery of new natural products by a combination of reversed-phase liquid chromatography (RPLC) and 13C NMR pattern recognition.

scholarly journals A novel chemical screening strategy in zebrafish identifies common pathways in embryogenesis and rhabdomyosarcoma development

Development ◽  
2013 ◽  
Vol 140 (11) ◽  
pp. 2354-2364 ◽  
Author(s):  
X. Le ◽  
E. K. Pugach ◽  
S. Hettmer ◽  
N. Y. Storer ◽  
J. Liu ◽  
...  
Keyword(s):  
Screening Strategy ◽  
Chemical Screening
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