Calcitonin receptor-like receptor(CRLR)is a human protein,that produces a calcitonin gene-related peptide receptor(CGRP)when associates with human receptor activity-modifying protein-1(HRAMP1).CGRP is believed to be i...Calcitonin receptor-like receptor(CRLR)is a human protein,that produces a calcitonin gene-related peptide receptor(CGRP)when associates with human receptor activity-modifying protein-1(HRAMP1).CGRP is believed to be involved in triggering of migraine.Many strategies were employed to design antimigraine drug using various CGRP antagonist/ligands but most of them have failed due to their inability to reach the target“CGRP receptor”as they get metabolized before conferring their pharmacological action and exhibit toxic effect to the liver.The present study,evaluated the binding of 13 phyto-chemical compounds of“Abrus precatorius”identified through GCMS analysis against the protein CGRP using“Discovery Studio software”.The molecular docking study and ADME/T properties prediction were performed with the compounds using C-DOCKER module.The results showed that five lead compounds of A.precatorius may act as good inhibitors for migraine headache and the compounds can be re-designed and synthesized for better antimigraine activity.展开更多
A series of novel 3-substituted-4-hydroxycoumarin derivatives 6（a-1） were synthesized in high yield using one-pot three component coupling reaction catalyzed by ceric ammonium nitrate. These compounds were evaluated...A series of novel 3-substituted-4-hydroxycoumarin derivatives 6（a-1） were synthesized in high yield using one-pot three component coupling reaction catalyzed by ceric ammonium nitrate. These compounds were evaluated for antileishmanial activity against Leishmania donovani promastigotes and antioxidant activity（DPPH-radical scavenging activity）. Two compounds, 6h（IC50= 9.90 μmol/L） and 6i（IC50= 6.90 μmol/L） displayed potent antileishmanial activity when compared with standard antileishmanial agents pentamidine（IC50= 16.15 μmol/L） and miltefosine（IC50= 12.50 μmol/L）. Three compounds, 6c（IC50= 10.79 μmol/L）, 6h（IC50= 10.60 μmol/L）, and 6i（IC50= 10.73 μmol/L） showed significant antioxidant activity favorably with the antioxidant standards butylated hydroxy toluene（IC50= 16.47 μmol/L） and ascorbic acid（IC50= 12.69 μmol/L）. A molecular docking study of compounds 6（a-1） suggested a possible mode of binding with the Adenine phosphoribosyltransferase enzyme of L.donovani. ADME properties were predicted in silico and support the potential of 6（a-1） to show favorable drug-like properties.展开更多
文摘Calcitonin receptor-like receptor(CRLR)is a human protein,that produces a calcitonin gene-related peptide receptor(CGRP)when associates with human receptor activity-modifying protein-1(HRAMP1).CGRP is believed to be involved in triggering of migraine.Many strategies were employed to design antimigraine drug using various CGRP antagonist/ligands but most of them have failed due to their inability to reach the target“CGRP receptor”as they get metabolized before conferring their pharmacological action and exhibit toxic effect to the liver.The present study,evaluated the binding of 13 phyto-chemical compounds of“Abrus precatorius”identified through GCMS analysis against the protein CGRP using“Discovery Studio software”.The molecular docking study and ADME/T properties prediction were performed with the compounds using C-DOCKER module.The results showed that five lead compounds of A.precatorius may act as good inhibitors for migraine headache and the compounds can be re-designed and synthesized for better antimigraine activity.
文摘A series of novel 3-substituted-4-hydroxycoumarin derivatives 6（a-1） were synthesized in high yield using one-pot three component coupling reaction catalyzed by ceric ammonium nitrate. These compounds were evaluated for antileishmanial activity against Leishmania donovani promastigotes and antioxidant activity（DPPH-radical scavenging activity）. Two compounds, 6h（IC50= 9.90 μmol/L） and 6i（IC50= 6.90 μmol/L） displayed potent antileishmanial activity when compared with standard antileishmanial agents pentamidine（IC50= 16.15 μmol/L） and miltefosine（IC50= 12.50 μmol/L）. Three compounds, 6c（IC50= 10.79 μmol/L）, 6h（IC50= 10.60 μmol/L）, and 6i（IC50= 10.73 μmol/L） showed significant antioxidant activity favorably with the antioxidant standards butylated hydroxy toluene（IC50= 16.47 μmol/L） and ascorbic acid（IC50= 12.69 μmol/L）. A molecular docking study of compounds 6（a-1） suggested a possible mode of binding with the Adenine phosphoribosyltransferase enzyme of L.donovani. ADME properties were predicted in silico and support the potential of 6（a-1） to show favorable drug-like properties.
