Despite the breadth of knowledge about malaria, its transmission, preventive measures and available treatments and its difficulty in controlling the vector and the rapid spread of resistance to current drugs, there is...Despite the breadth of knowledge about malaria, its transmission, preventive measures and available treatments and its difficulty in controlling the vector and the rapid spread of resistance to current drugs, there is a stimulus to develop new research looking for active molecules. The phytochemical studies of the active extract confirmed the presence of alkaloids, flavonoids, coumarins, tannins, reducing compounds, anthocyanins, terpenes, triterpenes and steroids. In the present work, it was possible to isolate a mixture of isoquinolinic alkaloids from the tender leaves of Nectandra membranacea （Laureaceae） with antimalarial activity. The mixture composed of （-） - gliazovine and （＋） - aplogliazovine showed an IC50 value of 32.18 μg/mL against the P. berghei NK65 strain. It is important to continue with these studies and their chemical components isolated from N. membranacea that could be used as an alternative the treatment of malaria.展开更多
Objective Rheumatoid arthritis(RA)is an autoimmune disease involving the synovial lining of the major joints.Current therapies have noteworthy side effects.Our study involved in silico evaluation of Ehretia laevis(E.l...Objective Rheumatoid arthritis(RA)is an autoimmune disease involving the synovial lining of the major joints.Current therapies have noteworthy side effects.Our study involved in silico evaluation of Ehretia laevis(E.laevis)phytoconstituents targeting tumor necrosis factor-α(TNF-α).Methods Molecular docking studies performed to investigate the binding pattern of the plant E.laevis phytoconstituents along with the crystal structure of TNF-α(PDB ID:2 AZ5)using AutoDock Vina followed by a study of interacting amino acid residues and their influence on the inhibitory potentials of the active constituents.Further the pharmacokinetic profile and toxicity screening carried out using Swiss ADME and pk CSM.Results The docked results suggest that lupeol(-9.4 kcal/mol)andα-amyrin(-9.4 kcal/mol)has best affinity towards TNF-αcompared to standard drug thalidomide(-7.4 kcal/mol).The active chemical constituents represents better interaction with the conserved catalytic residues,leading to the inhibition/blockade of the TNF-α-associated signaling pathway in RA.Furthermore,pharmacokinetics and toxicity parameters of these phytochemicals were within acceptable limits according to ADMET studies.Conclusion The binding potential of phytoconstituents targeting TNF-αshowed promising results.Nonetheless,it encourages the traditional use of E.laevis and provides vital information on drug development and clinical treatment.展开更多
A phytochemical investigation on the aerial parts of Waltheria indica Linn.led to the isolation of 16 compounds,including five terpenoids(1–5),four coumarins(6–9),six flavonoids(10–15),and one phenylpropanoid glyco...A phytochemical investigation on the aerial parts of Waltheria indica Linn.led to the isolation of 16 compounds,including five terpenoids(1–5),four coumarins(6–9),six flavonoids(10–15),and one phenylpropanoid glycoside(16).The structures of these compounds were identified by spectroscopic data analysis and comparison with those reported in the literatures.Except for 12 and 15,all the compounds were isolated from W.indica for the first time.Moreover,coumarins were firstly reported to be obtained from this herb.The NO production inhibitory activities of all the isolated compounds in LPS-induced BV-2 cells were also presented.展开更多
文摘Despite the breadth of knowledge about malaria, its transmission, preventive measures and available treatments and its difficulty in controlling the vector and the rapid spread of resistance to current drugs, there is a stimulus to develop new research looking for active molecules. The phytochemical studies of the active extract confirmed the presence of alkaloids, flavonoids, coumarins, tannins, reducing compounds, anthocyanins, terpenes, triterpenes and steroids. In the present work, it was possible to isolate a mixture of isoquinolinic alkaloids from the tender leaves of Nectandra membranacea （Laureaceae） with antimalarial activity. The mixture composed of （-） - gliazovine and （＋） - aplogliazovine showed an IC50 value of 32.18 μg/mL against the P. berghei NK65 strain. It is important to continue with these studies and their chemical components isolated from N. membranacea that could be used as an alternative the treatment of malaria.
文摘Objective Rheumatoid arthritis(RA)is an autoimmune disease involving the synovial lining of the major joints.Current therapies have noteworthy side effects.Our study involved in silico evaluation of Ehretia laevis(E.laevis)phytoconstituents targeting tumor necrosis factor-α(TNF-α).Methods Molecular docking studies performed to investigate the binding pattern of the plant E.laevis phytoconstituents along with the crystal structure of TNF-α(PDB ID:2 AZ5)using AutoDock Vina followed by a study of interacting amino acid residues and their influence on the inhibitory potentials of the active constituents.Further the pharmacokinetic profile and toxicity screening carried out using Swiss ADME and pk CSM.Results The docked results suggest that lupeol(-9.4 kcal/mol)andα-amyrin(-9.4 kcal/mol)has best affinity towards TNF-αcompared to standard drug thalidomide(-7.4 kcal/mol).The active chemical constituents represents better interaction with the conserved catalytic residues,leading to the inhibition/blockade of the TNF-α-associated signaling pathway in RA.Furthermore,pharmacokinetics and toxicity parameters of these phytochemicals were within acceptable limits according to ADMET studies.Conclusion The binding potential of phytoconstituents targeting TNF-αshowed promising results.Nonetheless,it encourages the traditional use of E.laevis and provides vital information on drug development and clinical treatment.
基金National Natural Science Foundation of China(Grant No.81473106 and 81773864)The Drug Innovation Major Project of China(Grant No.2018ZX09711001-008-003)
文摘A phytochemical investigation on the aerial parts of Waltheria indica Linn.led to the isolation of 16 compounds,including five terpenoids(1–5),four coumarins(6–9),six flavonoids(10–15),and one phenylpropanoid glycoside(16).The structures of these compounds were identified by spectroscopic data analysis and comparison with those reported in the literatures.Except for 12 and 15,all the compounds were isolated from W.indica for the first time.Moreover,coumarins were firstly reported to be obtained from this herb.The NO production inhibitory activities of all the isolated compounds in LPS-induced BV-2 cells were also presented.
