Jaya Pandey

University of Lucknow · Department of Physics

Hydrochlorothiazide (HCTZ) being a diuretic drug widely used in anti-hypertensive therapy as it lowers the blood pressure by reducing the reabsorption of electrolytes in kidney resulting an increment of urine output and lowering the blood pressure. The purpose of the present work is to study the structural, vibrational and chemical properties of HC...

Ezetimibe (EZT) being an anticholesterol drug is frequently used for the reduction of elevated blood cholesterol levels. With the purpose of improving the physicochemical properties of EZT, in the present study, cocrystals of ezetimibe with L-proline have been studied. Theoretical geometry optimization of EZT-L-proline cocrystal, energies, and stru...

Estradiol 17β valerate (E2V) is a hormonal medicine widely used in hormone replacement therapy. E2V undergoes a reversible isosymmetric structural phase transition at low temperature (̴ 250 K) which results from the reorientation of the valerate chain. The reversible isosymmetric structural phase transition follows Ehrenfest’s classification when d...

Drug designing is a long time process to drug manufacturing. Structure prediction through experimental and theoretical approach can be used as a basis in a way to design a new drug. The combination of molecular electrostatic potential surface map (MEPS) and spectroscopy are used to confirm the reactive sites involved in hydrogen bonding. Density fu...

Molecular structure, chemical reactivity, vibrational properties and intermolecular hydrogen bonding plays an important role in understanding the biological behavior of a pharmaceutical drug. The aim of the present work incorporates the combination of computational and experimental studies to examine the effect of hydrogen bonding on the vibrationa...

About the conference The very idea of holding the 'International Symposium on Advances in Functional and Biological Materials' is that it provides a platform, where young researchers and experienced scientists from different disciplines can interact, discuss and find out commonalities among their research interests. Many a times these meetings make...

The current study was aimed to investigate febuxostat-salicylic acid (FXT-SAA) eutectic system using two polymorphs of FXT, form Q and form A. FXT, a BCS class II drug and SAA, water soluble co-former were used to formulate FXT-SAA eutectic system. The formed system was further confirmed using binary phase diagram and powder X-ray diffraction (PXRD...

Molecular structure, chemical and physical reactivity, spectroscopic behavior, intermolecular interactions play an important role in understanding the biological nature of pharmaceutical drugs. The objective of the study is to combine the spectroscopic and computational methodology for the investigation of structural behavior of ezetimibe (EZT). Co...

Febuxostat (FXT) is a urate-lowering drug and xanthine oxidase inhibitor which is used for the treatment of hyperuricemia and gout caused by increased levels of uric acid in the blood (hyperuricemia). The present study aims to provide deeper knowledge of the structural, vibrational spectroscopic and physiochemical properties of FXT based on monomer...

Crystalline materials obtain their basic physical properties from the molecular arrangement within the solid, and changing the position or interactions between these molecules can have a direct effect on the physical properties of that solid. Cocrystallization helps in improving the physiochemical properties without altering the pharmacological beh...

Nitrofurantoin (NTF) has been used as an antibacterial drug to treat bacterial infections of the urinary tract. The purpose of this work is to predict the hydrogen bonds (potential synthons) present in the cocrystal of nitrofurantoin-L-proline (NTF-LP) through a computational approach (DFT calculations) and validate using vibrational spectroscopic...

Ezetimibe (EZT) is a hypocholesterolemic agent used for the treatment of elevated blood cholesterol levels as it lowers the blood cholesterol by blocking the absorption of cholesterol in intestine. Study aims to combine experimental and computational methods to provide insights into the structural and vibrational spectroscopic properties of EZT whi...