International Journal of Pharmaceutical Chemistry and Analysis

148-153

Authors: Umang Shah, Tarang Talaviya, Anuradha Gajjar

The present study depicts the developed and validated simple, reliable, sensitive and robust RP-HPLC method for the determination of Valethamate bromide in pharmaceutical formulation. The chromatographic system consisted of LC 2010cHT, Luna HPLC analytical C18 100 A⁰, 250 X 4.6 mm, 5 μm columns and the mobile phase containing acetonitrile: water in the ratio of (20: 80) % v/v. Detection was carried out by using PDA detector at 200 nm. Retention time (Rt) of Valethamate bromide was 4.62 min. Method shows to linear response in the range of 5-30 µg/mL (r2=0.9975).LOD and LOQ were 0.22 and 0.68 µg/mL, respectively. Method was validated according to ICH Q2 (R1) guideline. Parameters taken into consideration for validation were linearity, precision, specificity, accuracy, robustness. %RSD values for all the parameters were <2%. Accuracy of the method after standard addition of the drug was within range 99.67-100.66%. Robustness study was performed using 23-1 factorial design. The developed method can be successfully applied to the pharmaceutical formulation for determination of Valethamate bromide.

161-169

Authors: Ruchi Mishra, Anamika Singh Gaur, Ramesh Chandra, Devesh Kumar

The fundamental problems in drug discovery are based on the process of molecular recognition by small molecules. The binding specificity of DNA-small molecule is identified mainly by studying the hydrogen bonding and polar interactions. Majority of the minor groove binders and their mechanism of action at the molecular level are not well studied. As these small molecules can acts as effective therapeutic agents against many diseases, there is a need to have the detailed mechanistic insights on how they interact with DNA. In this study we have investigated the binding mechanism and stability of the complexes using molecular modeling methods. The molecular docking studies were performed to explore the exact binding sites and affinity inside the DNA minor grove. A 5ns molecular dynamics (MD) simulation for the DNA minor groove binders has been performed using AMBER and GROMACS program. Further, to study the systematic deviation of docked complexes during MD simulation, RMSD as a function of time have been analyzed and it has been found that rmsd variation obtained using AMBER and GROMACS MD simulation are approx same. The binding free energies between the DNA and minor groove binders were calculated and decomposed by molecular mechanics/generalized born surface area (MM-GBSA) and Molecular Mechanics/Poisson−Boltzmann Surface Area (MM-PBSA) methods. The comparative and systematic analysis presented in this study can provide guidance for the choice of MD methods and the designs of new potent inhibitors targeting DNA.

182-186

Authors: Ashwini Dinodia

Bioinformatics is one of the new and emerging scientific fields which deals in the biological data and established itself an important component in the field of science. Bioinformatics is comprised of a large no of software’s, tools, statistics which helps us to identify the unknown sequence of the gene, DNA, protein or any biomolecule. Bioinformatics is used to find the 3D structure of protein, DNA or any other unknown substance which may or may not have the biological activity. It reduces the cost as well as time to perform the experiment and used in the drug design of the new molecule and to find out the therapeutic activity of molecule.

192-198

Authors: Chiragkumar J. Gohil, Malleshappa N. Noolvi

Breast cancer is the second leading cause of cancer death in women. About two-thirds of breast cancers are termed hormone-dependent breast cancer, which contains estrogen receptors (ER) and requires estrogen for tumor growth. Aromatase, the enzyme involved in the last step of the biosynthesis of estrogens from androgens, are potential targets for the prevention and treatment of this type of breast cancer. Aromatase inhibitors can markedly suppress plasma estrogen levels by inhibiting aromatase. However, these compounds inhibit aromatase activity in a global fashion and thus could adversely impact sites where estrogen is required for normal function. This drawback has encouraged researchers to develop new drugs that can selectively inhibit aromatase for breast cancer.