Posted by admin on Apr 30, 2015 in |
DHFR being involved in many important cell processes, its inhibition has long been an attractive goal for the development of chemotherapeutic agents. In present work, efforts have been made to model the DHFR inhibitory activity of a series of 4,6-diamino-2,2-dimethyl-1,2-dihydro-1,3,5-triazine derivatives to identify the structural requirements for the binding affinity between the receptor and Triazine derivatives. Quantum chemical properties like electron density on specific atoms, net charge on specific atom, binding energy, HOMO, LUMO etc. were used for various structural activity relationship investigations for a series of derivatives of Baker’s triazine for proposals of new compounds which might be useful for the development of effective drugs. The parameters were calculated by optimizing the molecule using MM+ force field. To develop the model with significant statistics and predicting ability, quantum chemical computations were made by using step-wise regression analysis and validated by various cross-validation parameters. The results were discussed on the basis of maximum R2 value which indicates that penta-parametric model is the most significant model for the...
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Posted by admin on Apr 30, 2015 in |
The prime aim of this research paper is to find out the various kinds of intermolecular interactions in the alcoholic tramadol below the room temperature. Study of molecular interaction in the mixture of alcohols namely ethanol,1-propanol,1-butanol with tramadol drug at T = 278.15 K have been examined under the ultrasonic technique at 2MHz. Ultrasonic data of drug solutions has been evaluated at various desired acoustical parameters e.g. Free length, adiabatic compressibility, relative association, molar sound velocity, adiabatic compressibility, internal pressure etc. In this research, investigation is carrying out the various types of possible molecular interaction in the solution. These parameters have been thoroughly analyzed and eventually interpreted at the possible molecular interactions such as structure making and structure breaking effect and also solute-solvent, ionic interaction, H-bonding effect in the alcoholic tramadol drug solution. It can be concluded that there is associative behavior in the alcoholic tramadol solution at desired...
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Posted by admin on Apr 30, 2015 in |
Five steroids have been isolated and identified from methanol extracts of stems of Polygonumpulchrum (Bambu-bambu, Tolakinese, a South East Sulawesi Ethnic), namely; (1) sigmasta-4, 25-diene-3,6-diol; (2) 6β-hydroxystigmasta-4.22-dien-3-one, (3) stigmasterol, (4) stigmasta-4.22-dien-3-on, and (5) ergosterol peroxide. The isolation was worked by using chromatography method including thin layer chromatography (TLC), vacuum liquid chromatography (VLC) and radial chromatography (RC) with silica gel as adsorbent and solvents mixture as eluent. The compound structures were evaluated by spectroscopic data (FTIR and NMR data) and then the results were compared with the existing data from references. Biological activities of all compounds were evaluated toward DPPH (1,1 Diphenyl-2-picrylhidrazyl) as a radical source and WiDr cells lines. The radical scavenger activities and anticancer potency of all compounds were indicated by IC50 value. The values of IC50 (µM) of sigmasta-4, 25-diene-3,6-diol, 6β-hydroxystigmasta-4.22-dien-3-one, stigmasterol, stigmasta-4.22-dien-3-one, ergosterol peroxide, and Vitamine C (standard) toward DPPH were obtained at 165.4 ± 0.22;233.4 ± 0.28; 372.3 ± 0.33; 144.80 ± 0.24; 1083.1 ± 0.38and 68.9 ± 0.12, respectively. Moreover, potency the compounds as...
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Posted by admin on Apr 30, 2015 in |
Nifedipine has poor dissolution characteristics due to its poor wetability and dispersibility in body fluits, floating mucoadhesieve system in a Simplex Lattice Design were combined in an attempt to prolong its gastric residence time. This research was aimed to find an optimum formula, through finding effects of adding polymers (Carbopol 934P, gelatin) concentration and optimum gas generating, to be combined with its Nifedipine spray-dry release with PVP K-30. Nifedifine was produced by a spray-dried method with the 30% drugloads using PVP K-30. All performed dispersions were characterized by using Scanning Electron Microscopy (SEM), X-ray Powder Difractometry (XRPD), Differential Scanning Calorimetry (DSC) and in-vitro drug release. The 5% and 15% concentration of Carbopol 934P, gelatin, and (citric acid:Na2CO3) were used. Based on the Design Expert Optimation program, the optimum formula of Nifedipine tablets was obtained that it consisted of 12.02% Carbopol 934P, 5% gelatin, and 7.98% gas generating which resulting the physical characteristics of 3.00% moisture content, 10.51 g/sec flow-rate, 4.51 kg/cm2 hardness, 0.48% fragility, 58.10% DE, 100.20 sec Floating...
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Posted by admin on Apr 30, 2015 in |
Complexes of Nickel(II) with 2-heptanonesemicarbazone (hsc) and 2-heptanonethiosemicabazone (htc) have been synthesized and characterized by elemental analysis, molar conductance measurements, magnetic moments, mass, IR and electronic/spectral studies. Synthesized complexes were found to have a general composition of Ni(L)2X2 (where X=Cl–, 1/2SO42-, NO3–, ClO4–, NCS–, CH3COO– and L=hsc or htc). Molar conductance indicates that all the complexes are non-electrolytes in nature whereas chloro complexes are 1:1 electrolytes. Metal complexes of 2-heptanonesemicarbazone were soluble in hot ethanol, methanol, acetone and DMSO and insoluble in chloroform, benzene and water, whereas metal complexes of 2-hepatanonethiosemicarbazone were soluble in ethanol, methanol and acetone, insoluble in chloroform and benzene. On the basis of IR and electronic spectral analysis thiocyanato, sulphato, perchlorato, acetato and nitrato complexes of were found to have six-coordinate octahedral geometry whereas chloro complexes were five-coordinate and having trigonal bipyramidal...
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