Molecular docking for thrombolytic activity of some isolated compounds from Clausena lansium.

Arkajyoti Paul; Mohuya Majumder; Abdul Gafur; Sabrina Qureshi; Joy Chakraborty; Abdullah Al Masum; Nazim Uddin Chy; Mohammad Shah Hafez Kabir

doi:10.19230/jonnpr.1223

Autores/as

Arkajyoti Paul Department of Pharmacy, BGC Trust University Bangladesh, Chittagong-4000. GUSTO A Research Group, Chittagong-4000.
Mohuya Majumder Department of Pharmacy, BGC Trust University Bangladesh, Chittagong-4000. GUSTO A Research Group, Chittagong-4000.
Abdul Gafur Department of Pharmacy, Stamford University Bangladesh, Dhaka
Sabrina Qureshi Department of Pharmacy, Faculty of Basic Medical & Pharmaceutical Sciences, University of Science & Technology Chittagong, Chittagong
Joy Chakraborty Department of Pharmacy, BGC Trust University Bangladesh, Chittagong-4000. GUSTO A Research Group, Chittagong-4000.
Abdullah Al Masum GUSTO A Research Group, Chittagong-4000. Department of Pharmacy, International Islamic University Chittagong, Chittagong-4203.
Nazim Uddin Chy GUSTO A Research Group, Chittagong-4000. Department of Pharmacy, International Islamic University Chittagong, Chittagong-4203.
Mohammad Shah Hafez Kabir GUSTO A Research Group, Chittagong-4000. Department of Pharmacy, International Islamic University Chittagong, Chittagong-4203.

DOI:

https://doi.org/10.19230/jonnpr.1223

Palabras clave:

Clausena lansium, actividad trombolítica, acoplamiento molecular, Clausemarin B

Resumen

La Clausena lansium (Familia- Rutaceae), comúnmente conocida como wampi o vampi, se encuentra en las tierras de barbecho o en terrenos baldíos en Bangladesh. Este estudio pretende hacer acoplamientos moleculares para identificar posibles afinidades de enlace de los fitocompuestos de Clausena lansium, específicamente Clausemarin B, Clausenaline C, Clausenaline E, Murrayanine, vanillic acid y Xanthotoxol en busca de la molecula principal de actividad trombolitica. El acoplamiento molecular realizado por Schrodinger ofreció un amplio rango de cocientes de acoplamiento que fueron para Clausemarin B , Clausenaline C , Clausenaline E, Murrayanine , vanillic acid and Xanthotoxol -6.926, -4.041, -4.889 , -4.356, -3.007 and -5.816 respectivamente. Entre todos los compuestos fue Clausemarin B el que mostró el mejor coeficiente de acoplamiento. Por tanto Clausemarin B es el más eficaz para actividad trombolitica. En el futuro serán necesarias investigaciones in vivo para identificar la actividad trombolitica de los compuestos aislados
de Clausena lansium.

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