In the present work an attempt has been made to design the antibiotic drug loaded carbopolpoly( NVP) based hydrogel wound dressings for better wound care. The polymer films were characterized by SEM-EDX, AFM, FTIR, 13...In the present work an attempt has been made to design the antibiotic drug loaded carbopolpoly( NVP) based hydrogel wound dressings for better wound care. The polymer films were characterized by SEM-EDX, AFM, FTIR, 13CNMR, TGA/DTA/DTG, DSC, and swelling studies. Besides drug release, various biomedical properties (viz. blood compatibility, mucoadhesion, oxygen permeability, water vapour transmission rate, microbial penetration, tensile strength, bursting strength, resilience, stress relaxation, and folding endurance) have also been studied. The polymer films have been observed to be biocompatible, permeable to oxygen and water vapour and have absorbed simulated wound fluid 11.37±0.31g/g of polymer film. The drug release profile followed the Case-II diffusion mechanism and release profile best fitted in Hixson-Crowell’s kinetic models. Mechanical properties results showed that the polymer film had 0.65±0.12 Nmm??2 tensile strength, 119.38±14.26% elongationand 25.49±0.72% resilience.展开更多
The pharmaceutical cocrystals and its engineering is widely accepted phenomenon regarding to the enhancement of aqueous solubility of poorly soluble drugs. The pharmaceutical cocrystals have the great ability to impro...The pharmaceutical cocrystals and its engineering is widely accepted phenomenon regarding to the enhancement of aqueous solubility of poorly soluble drugs. The pharmaceutical cocrystals have the great ability to improve the physicochemical properties of drug substance. Cocrystals are formed by the stoichiometric combination of drug substance and the coformer. The drug glimepiride is a third generation oral hypoglycemic sulfonylurea class. Glimepiride is a drug which is get classified as biopharmaceutical classification system (BCS) class II which indicates the glimepiride having low aqueous solubility and high permeability. Cocrystal engineering is a perfect way to increases glimepiride solubility without changing its therapeutic property. The cocrystals were synthesized by the solvent drop grinding as a green chemistry approach. The coformers used to form the cocrystals are succinic acid (SA), Theobromine (TB), caffeine (CF). The synthesized cocrystals are get characterized by vibrational spectroscopy, thermal analysis, molecular crystallography, and optical microscopy. The obtained results shows the formation of cocrystal phase between the drug glimepiride and its coformers.展开更多
In order to explore the mechanism of action of meloxicam and α-amylase. The interaction between the rheumatoid arthritis drug meloxicam and α-amylase was studied by fluorescence spectroscopy, synchronous fluorescenc...In order to explore the mechanism of action of meloxicam and α-amylase. The interaction between the rheumatoid arthritis drug meloxicam and α-amylase was studied by fluorescence spectroscopy, synchronous fluorescence spectroscopy and molecular docking under the experimental conditions of pH=6.80. The results showed that meloxicam was able to effectively quench the endogenous fluorescence of α-amylase in a static quenching form a 1:1 complex and change the conformation of α-amylase. Thermodynamic results indicated that the main type of meloxicam and α-amylase system was hydrophobic interaction. Molecular docking indicated that the binding system had hydrogen bonds in addition to hydrophobic interaction and meloxicam was surrounded by the active amino acid residues Trp13 and Trp263 of α-amylase, which changed the microenvironment of amino acid residues at the active center of α-amylase. By establishing the binding model, it can be seen that the protein binding rate W(B) of meloxicam to -amylase was 2.76%-41.79% under the experimental conditions. The results showed that the binding of meloxicam to α-amylase had an effect on the number of free -amylase. The drug binding rate W(Q) of the system was 2.76%-1.67%, which indicated that the combination of α-amylase and meloxicam would not affect the efficacy of meloxicam.展开更多
Sophoridine and oxysophoridine are alkaloids extracted from Chinese traditional medicinewith significant antitumor activities. Computer-aided design and preliminary structure-activity relationship studiesshowed that t...Sophoridine and oxysophoridine are alkaloids extracted from Chinese traditional medicinewith significant antitumor activities. Computer-aided design and preliminary structure-activity relationship studiesshowed that the biological activity of sophoridine can be improved after oxidation (oxysophoridine) whileits toxicity significantly decreased. A new method to prepare oxysophoridine from natural product Sophoridineby biotransformation was established for the first time except for traditional extraction from plants and chemicalsynthesis. Positive biocatalytic reaction was detected by TLC. Structure of conversion product was elucidatedbased on NMR spectroscopy. Optimizations of reactions including substrate concentration, pH, conversion timeand inoculation quantity were complemented which analyzed by LC-MS. Results showed that filamentous fungusXylariales. sp F005 (CCTCC M2014660) has the capacity of synthetizing oxysophoridine from sophoridinein the selected 37 strains. The yield of oxysophoridine reached highest at conditions pH 6.0, the third day ofconversion time, 5.0 mg substrate and 5% inoculums respectively. The method for preparing oxysophoridinecatalyzed by enzymes with green and sustainable synthetic processes was developed.展开更多
The SeDeM Expert System was first known as a galenic pre-formulation system, which was based on the experimental research and quantitative determination of powdered substances. And the mathematical formula provided by...The SeDeM Expert System was first known as a galenic pre-formulation system, which was based on the experimental research and quantitative determination of powdered substances. And the mathematical formula provided by the SeDeM Expert System has plays an important role in the study of powder properties. The system can be used not only to evaluate the powder direct compression (DC) of excipients and active pharmaceutical ingredients (API’s), but also to predict the possible formulations, so it can reduce unnecessary research and trials, and shorten the time of development. In this paper, the research development and application of SeDeM Expert System in DC was summarized, and the results showed that with a few exceptions, the system was skilled in predicting acceptable tablet formulations. Finally, the new application prospect of the system is presented, including the application of the Internet traffic and content management (iTCM) database and the new co-processed excipients.展开更多
Pharmacy is an interdisciplinary field of science, which covers the knowledge of fate of drugs (pharmacons), excipients and formulated pharmaceutical products outside and inside the body. Separation of pharmacy as a s...Pharmacy is an interdisciplinary field of science, which covers the knowledge of fate of drugs (pharmacons), excipients and formulated pharmaceutical products outside and inside the body. Separation of pharmacy as a separate entity of medicine is dated back to the ninth century.[1] The trend toward specialization was later reinforced by a law enacted by the German Emperor Frederic II at the beginning of the thirteenth century.[2] Since these early times pharmacy underwent a continuous and intense development.展开更多
Garcinia Glycosides is a candidate drug obtained by structural modification of Gambogic Acid (GA), which was acquired through High Throughput Screening(HTS). As Garcinia Glycosides is an effective but insoluble anti-t...Garcinia Glycosides is a candidate drug obtained by structural modification of Gambogic Acid (GA), which was acquired through High Throughput Screening(HTS). As Garcinia Glycosides is an effective but insoluble anti-tumor drug, the aim of this study was to obtain a solid dispersion form Garcinia Glycosides by using solvent-melt method so that improve the solubility and dissolution rate. The solid dispersion was characterized by High Performance Liquid Chromatography (HPLC), infrared spectroscopy and evaluated the intestinal absorption of the drug by rat in situ single pass intestinal perfusion. The results showed the increase of solubility, dissolution velocity and absorption compared to other forms. This indicated that solid dispersion could greatly improve the relative bioavailability of Garcinia Glycosides in vivo.展开更多
The binding pursuits of trans-resveratrol(t-RSV),an amazing health supplement are investigated with an antioxidant enzyme,superoxide dismutase(SOD1).The aim of the study is to dock t-RSV on the adrenaline binding site...The binding pursuits of trans-resveratrol(t-RSV),an amazing health supplement are investigated with an antioxidant enzyme,superoxide dismutase(SOD1).The aim of the study is to dock t-RSV on the adrenaline binding site on SOD1 in order to explore its potential to act as a safety net against amyotrophic lateral sclerosis(ALS),a fatal neurodegenerative disorder that affects motor neurons.In silico GLIDE docking methodology and in vitro microcalorimetry technique is utilized for the investigation of binding parameters of t-RSV with SOD1.The study provides useful and distinct information about the amino acids involved in the interactions at molecular level along with the nature of forces involved in binding of t-RSV with SOD1.The docking analysis using the scoring functions of Schrodinger’s Glide package depicts that GLU100,PRO28,LYS23,TRP32 residues of the peptide backbone on SOD1 interact with phenolic groups of t-RSV.The information on thermodynamic parameters,i.e.binding constant(Kb),free energy(△G)and enthalpy(△H)generated through calorimetric titrations suggests that the reaction between t-RSV and SOD1 is spontaneous and exothermic.Both the studies are found to be in close agreement with each other based as far as the magnitude of binding constant(Kb=9.9×10^4)is concerned.展开更多
Under simulated physiological conditions (pH=7.40), the interaction between non-steroidal anti-inflammatory drug Mobic and lipase was studied by fluorescence spectra, ultraviolet absorption spectra, circular dichroism...Under simulated physiological conditions (pH=7.40), the interaction between non-steroidal anti-inflammatory drug Mobic and lipase was studied by fluorescence spectra, ultraviolet absorption spectra, circular dichroism spectra and computer simulation technique. The experimental results showed that Mobic could quench the fluorescence of lipase by static quenching, and the binding site number is about 1. According to F¨orster’s theory of non-radiation energy transfer, the binding distance between Mobic and lipase was obtained, r<7 nm, which indicated that there was non-radiation energy transfer in the system. The thermodynamic parameters were obtained from van’t Hoff equation, Gibbs free energy -G<0, indicating that the reaction between them was spontaneous,-H<0,-S>0, indicating that hydrophobic force played a major role in the formation of Mobic and lipase complex. The results of synchronous fluorescence spectra, UV spectra and circular dichroism spectra showed that Mobic changed the conformation of lipase. The molecular docking results showed that the binding position of Mobic was close to the active center, indicating that Mobic could change the microenvironment of amino acid residues at the active center of lipase catalysis. The results of docking showed that there was hydrogen bond between Mobic and lipase, so the interaction between Mobic and lipase was driven by hydrophobic interaction and hydrogen bond.展开更多
文摘In the present work an attempt has been made to design the antibiotic drug loaded carbopolpoly( NVP) based hydrogel wound dressings for better wound care. The polymer films were characterized by SEM-EDX, AFM, FTIR, 13CNMR, TGA/DTA/DTG, DSC, and swelling studies. Besides drug release, various biomedical properties (viz. blood compatibility, mucoadhesion, oxygen permeability, water vapour transmission rate, microbial penetration, tensile strength, bursting strength, resilience, stress relaxation, and folding endurance) have also been studied. The polymer films have been observed to be biocompatible, permeable to oxygen and water vapour and have absorbed simulated wound fluid 11.37±0.31g/g of polymer film. The drug release profile followed the Case-II diffusion mechanism and release profile best fitted in Hixson-Crowell’s kinetic models. Mechanical properties results showed that the polymer film had 0.65±0.12 Nmm??2 tensile strength, 119.38±14.26% elongationand 25.49±0.72% resilience.
文摘The pharmaceutical cocrystals and its engineering is widely accepted phenomenon regarding to the enhancement of aqueous solubility of poorly soluble drugs. The pharmaceutical cocrystals have the great ability to improve the physicochemical properties of drug substance. Cocrystals are formed by the stoichiometric combination of drug substance and the coformer. The drug glimepiride is a third generation oral hypoglycemic sulfonylurea class. Glimepiride is a drug which is get classified as biopharmaceutical classification system (BCS) class II which indicates the glimepiride having low aqueous solubility and high permeability. Cocrystal engineering is a perfect way to increases glimepiride solubility without changing its therapeutic property. The cocrystals were synthesized by the solvent drop grinding as a green chemistry approach. The coformers used to form the cocrystals are succinic acid (SA), Theobromine (TB), caffeine (CF). The synthesized cocrystals are get characterized by vibrational spectroscopy, thermal analysis, molecular crystallography, and optical microscopy. The obtained results shows the formation of cocrystal phase between the drug glimepiride and its coformers.
文摘In order to explore the mechanism of action of meloxicam and α-amylase. The interaction between the rheumatoid arthritis drug meloxicam and α-amylase was studied by fluorescence spectroscopy, synchronous fluorescence spectroscopy and molecular docking under the experimental conditions of pH=6.80. The results showed that meloxicam was able to effectively quench the endogenous fluorescence of α-amylase in a static quenching form a 1:1 complex and change the conformation of α-amylase. Thermodynamic results indicated that the main type of meloxicam and α-amylase system was hydrophobic interaction. Molecular docking indicated that the binding system had hydrogen bonds in addition to hydrophobic interaction and meloxicam was surrounded by the active amino acid residues Trp13 and Trp263 of α-amylase, which changed the microenvironment of amino acid residues at the active center of α-amylase. By establishing the binding model, it can be seen that the protein binding rate W(B) of meloxicam to -amylase was 2.76%-41.79% under the experimental conditions. The results showed that the binding of meloxicam to α-amylase had an effect on the number of free -amylase. The drug binding rate W(Q) of the system was 2.76%-1.67%, which indicated that the combination of α-amylase and meloxicam would not affect the efficacy of meloxicam.
文摘Sophoridine and oxysophoridine are alkaloids extracted from Chinese traditional medicinewith significant antitumor activities. Computer-aided design and preliminary structure-activity relationship studiesshowed that the biological activity of sophoridine can be improved after oxidation (oxysophoridine) whileits toxicity significantly decreased. A new method to prepare oxysophoridine from natural product Sophoridineby biotransformation was established for the first time except for traditional extraction from plants and chemicalsynthesis. Positive biocatalytic reaction was detected by TLC. Structure of conversion product was elucidatedbased on NMR spectroscopy. Optimizations of reactions including substrate concentration, pH, conversion timeand inoculation quantity were complemented which analyzed by LC-MS. Results showed that filamentous fungusXylariales. sp F005 (CCTCC M2014660) has the capacity of synthetizing oxysophoridine from sophoridinein the selected 37 strains. The yield of oxysophoridine reached highest at conditions pH 6.0, the third day ofconversion time, 5.0 mg substrate and 5% inoculums respectively. The method for preparing oxysophoridinecatalyzed by enzymes with green and sustainable synthetic processes was developed.
文摘The SeDeM Expert System was first known as a galenic pre-formulation system, which was based on the experimental research and quantitative determination of powdered substances. And the mathematical formula provided by the SeDeM Expert System has plays an important role in the study of powder properties. The system can be used not only to evaluate the powder direct compression (DC) of excipients and active pharmaceutical ingredients (API’s), but also to predict the possible formulations, so it can reduce unnecessary research and trials, and shorten the time of development. In this paper, the research development and application of SeDeM Expert System in DC was summarized, and the results showed that with a few exceptions, the system was skilled in predicting acceptable tablet formulations. Finally, the new application prospect of the system is presented, including the application of the Internet traffic and content management (iTCM) database and the new co-processed excipients.
文摘Pharmacy is an interdisciplinary field of science, which covers the knowledge of fate of drugs (pharmacons), excipients and formulated pharmaceutical products outside and inside the body. Separation of pharmacy as a separate entity of medicine is dated back to the ninth century.[1] The trend toward specialization was later reinforced by a law enacted by the German Emperor Frederic II at the beginning of the thirteenth century.[2] Since these early times pharmacy underwent a continuous and intense development.
文摘Garcinia Glycosides is a candidate drug obtained by structural modification of Gambogic Acid (GA), which was acquired through High Throughput Screening(HTS). As Garcinia Glycosides is an effective but insoluble anti-tumor drug, the aim of this study was to obtain a solid dispersion form Garcinia Glycosides by using solvent-melt method so that improve the solubility and dissolution rate. The solid dispersion was characterized by High Performance Liquid Chromatography (HPLC), infrared spectroscopy and evaluated the intestinal absorption of the drug by rat in situ single pass intestinal perfusion. The results showed the increase of solubility, dissolution velocity and absorption compared to other forms. This indicated that solid dispersion could greatly improve the relative bioavailability of Garcinia Glycosides in vivo.
文摘The binding pursuits of trans-resveratrol(t-RSV),an amazing health supplement are investigated with an antioxidant enzyme,superoxide dismutase(SOD1).The aim of the study is to dock t-RSV on the adrenaline binding site on SOD1 in order to explore its potential to act as a safety net against amyotrophic lateral sclerosis(ALS),a fatal neurodegenerative disorder that affects motor neurons.In silico GLIDE docking methodology and in vitro microcalorimetry technique is utilized for the investigation of binding parameters of t-RSV with SOD1.The study provides useful and distinct information about the amino acids involved in the interactions at molecular level along with the nature of forces involved in binding of t-RSV with SOD1.The docking analysis using the scoring functions of Schrodinger’s Glide package depicts that GLU100,PRO28,LYS23,TRP32 residues of the peptide backbone on SOD1 interact with phenolic groups of t-RSV.The information on thermodynamic parameters,i.e.binding constant(Kb),free energy(△G)and enthalpy(△H)generated through calorimetric titrations suggests that the reaction between t-RSV and SOD1 is spontaneous and exothermic.Both the studies are found to be in close agreement with each other based as far as the magnitude of binding constant(Kb=9.9×10^4)is concerned.
文摘Under simulated physiological conditions (pH=7.40), the interaction between non-steroidal anti-inflammatory drug Mobic and lipase was studied by fluorescence spectra, ultraviolet absorption spectra, circular dichroism spectra and computer simulation technique. The experimental results showed that Mobic could quench the fluorescence of lipase by static quenching, and the binding site number is about 1. According to F¨orster’s theory of non-radiation energy transfer, the binding distance between Mobic and lipase was obtained, r<7 nm, which indicated that there was non-radiation energy transfer in the system. The thermodynamic parameters were obtained from van’t Hoff equation, Gibbs free energy -G<0, indicating that the reaction between them was spontaneous,-H<0,-S>0, indicating that hydrophobic force played a major role in the formation of Mobic and lipase complex. The results of synchronous fluorescence spectra, UV spectra and circular dichroism spectra showed that Mobic changed the conformation of lipase. The molecular docking results showed that the binding position of Mobic was close to the active center, indicating that Mobic could change the microenvironment of amino acid residues at the active center of lipase catalysis. The results of docking showed that there was hydrogen bond between Mobic and lipase, so the interaction between Mobic and lipase was driven by hydrophobic interaction and hydrogen bond.
