Chalcone derivatives are of immense importance owing to their superior pharmacological profile. Minor changes in their structures create high degree of diversity that results in a broader spectrum of biological activi...Chalcone derivatives are of immense importance owing to their superior pharmacological profile. Minor changes in their structures create high degree of diversity that results in a broader spectrum of biological activities. The present research paper presents the synthesis of 3-（4-chloro-3-nitrophenyl）-1-phenylprop-2-en-1-one chalcone（I）, single crystal XRD analysis and the evaluation of its possible biological activities like cytotoxic（LD（50） = 5.40 ug/m L）and antileishmanial（LD（50） = 0.81 ug/m L） activities. The results indicate the tested chalcone（I）shows superior inhibition values against leishmanial promastigotes. Further, the possible interaction sites of chalcone（I） with Try R enzyme involved in the redox metabolism of the leishmanial parasite were determined using docking simulation technique. Docking computations demonstrate that the compound establishes prominent binding interactions with the key residues of Try R and possesses the potential to effectively inhibit the catalytic activities of enzyme. Thus the results suggest that the chalcone（I） can serve as a potential scaffold for the treatment of leishmaniasis and deserve further development.展开更多
The chemical grafting of thiol terminated poly（sodium styrenesulfonate） （HS-PSSS） chains from sodium nitrate （NaNO3） salt solution to a gold surface was investigated with a quartz crystal microbalance with dissi...The chemical grafting of thiol terminated poly（sodium styrenesulfonate） （HS-PSSS） chains from sodium nitrate （NaNO3） salt solution to a gold surface was investigated with a quartz crystal microbalance with dissipation monitoring （QCM-D） in different salt concentrations, It was found that at low salt concentration grafting density of HS-PSSS was low and the grafted chains adopted a mushroom conformation. With the increase of salt concentration polyelectrolyte chains underwent a transition toward coiled state due to reduction of electrostatic repulsion and as a result more chains were grafted on the surface, When the grafting density reached a certain limit after which further grafting caused repulsion between already grafted HS-PSSS chains and as a result grafted chains adopted a brush conformation.展开更多
The present research paper presents the synthesis, characterization, biological and computational studies of 4-(benzylideneamino) benzoic acid derivatives(3a~3g). Derivatives 3a~3c displayed best antidiabetic potentia...The present research paper presents the synthesis, characterization, biological and computational studies of 4-(benzylideneamino) benzoic acid derivatives(3a~3g). Derivatives 3a~3c displayed best antidiabetic potential with a glucose-lowering effect compared to the reference drug Glibenclamide. Biochemical parameters including plasma glucose, serum triglycerides, cholesterol, alanine amino transferase and aspartate amino transferase levels showed significant alterations in concentrations relative to the control. Similarly, the derivatives 3a, 3d and 3e displayed potent in vitro antibacterial potential. Molecular docking simulations delineated that the ligands and complexes were stabilized at the active site by electrostatic and hydrophobic forces, consistent with the corresponding experimental results. In silico study of the binding pattern predicted that the synthesized ligands, 3d and 3a could serve as a potential surrogate for hit-to-lead generation and the design of novel antibacterial drugs.展开更多
文摘Chalcone derivatives are of immense importance owing to their superior pharmacological profile. Minor changes in their structures create high degree of diversity that results in a broader spectrum of biological activities. The present research paper presents the synthesis of 3-（4-chloro-3-nitrophenyl）-1-phenylprop-2-en-1-one chalcone（I）, single crystal XRD analysis and the evaluation of its possible biological activities like cytotoxic（LD（50） = 5.40 ug/m L）and antileishmanial（LD（50） = 0.81 ug/m L） activities. The results indicate the tested chalcone（I）shows superior inhibition values against leishmanial promastigotes. Further, the possible interaction sites of chalcone（I） with Try R enzyme involved in the redox metabolism of the leishmanial parasite were determined using docking simulation technique. Docking computations demonstrate that the compound establishes prominent binding interactions with the key residues of Try R and possesses the potential to effectively inhibit the catalytic activities of enzyme. Thus the results suggest that the chalcone（I） can serve as a potential scaffold for the treatment of leishmaniasis and deserve further development.
基金financially supported by the Higher Education Commission(HEC) of Pakistan under the indigenous PhD scholarship program
文摘The chemical grafting of thiol terminated poly（sodium styrenesulfonate） （HS-PSSS） chains from sodium nitrate （NaNO3） salt solution to a gold surface was investigated with a quartz crystal microbalance with dissipation monitoring （QCM-D） in different salt concentrations, It was found that at low salt concentration grafting density of HS-PSSS was low and the grafted chains adopted a mushroom conformation. With the increase of salt concentration polyelectrolyte chains underwent a transition toward coiled state due to reduction of electrostatic repulsion and as a result more chains were grafted on the surface, When the grafting density reached a certain limit after which further grafting caused repulsion between already grafted HS-PSSS chains and as a result grafted chains adopted a brush conformation.
基金Financial support of the Higher Education Commission(HEC)Pakistan,by awarding indigenous fellowship batch-1 phase-ΙΙfor M.Phil leading to Ph.D。
文摘The present research paper presents the synthesis, characterization, biological and computational studies of 4-(benzylideneamino) benzoic acid derivatives(3a~3g). Derivatives 3a~3c displayed best antidiabetic potential with a glucose-lowering effect compared to the reference drug Glibenclamide. Biochemical parameters including plasma glucose, serum triglycerides, cholesterol, alanine amino transferase and aspartate amino transferase levels showed significant alterations in concentrations relative to the control. Similarly, the derivatives 3a, 3d and 3e displayed potent in vitro antibacterial potential. Molecular docking simulations delineated that the ligands and complexes were stabilized at the active site by electrostatic and hydrophobic forces, consistent with the corresponding experimental results. In silico study of the binding pattern predicted that the synthesized ligands, 3d and 3a could serve as a potential surrogate for hit-to-lead generation and the design of novel antibacterial drugs.
