IN SILICO LIGAND-BASED 2D PHARMACOPHORE GENERATION FOR H+/K+ ATPASE INHIBITORS
Journal Title: Universal Journal of Pharmaceutical Research - Year 2017, Vol 2, Issue 4
Abstract
At the beginning of the 20th century, Peptic Ulcer became the most prevalent disease as non-steroidal anti-inflammatory drugs (NSAIDs) proved ineffective. Researches proved proton pump inhibitors as most successful drugs for the treatment of peptic ulcer. Hence, a ligand based pharmacophore was generated on Ligand Scout based on fifteen selected H+/K+ ATPase inhibitors. A pharmacophore model with three Hydrogen bond acceptors, one Hydrogen bond donor and one Hydrophobic Domain was developed. The distance between these features was estimated on Visual Molecular Dynamics (VMD) software. The range between HBA-HBD was found to be 1.89-2.96A. The range between HBD-HP was 4.00-5.46A and range between HP-HBA was 1.89-2.96A. This research study will thus help in designing new and effective drugs for the treatment of peptic ulcer disease.
Authors and Affiliations
Sidra Ajmal, Shanza Khan
Keywords
Related Articles
- EP ID EP36403
- DOI https://doi.org/10.22270/ujpr.v2i4.R7
- Views 332
- Downloads 0
EpCAM- AN OLD CANCER ANTIGEN, TURNED ONCOGENIC RECEPTOR AND ITS TAGETING IMMUNOTHERAPY
EpCAM is a cell adhesion molecule. Its structure, its expression and the oncogenic potential, and its signaling network and target therapy were in concise reviewed. In recent advances,in addition to PI3K/akt and Raf/MAPK...
PRESCRIPTION PATTERN OF ANTI-HYPERTENSIVE DRUGS IN A TERTIARY CARE HOSPITAL IN KERALA AND ADHERENCE TO JNC-8 GUIDELINES
Hypertension is a leading contributor to the global burden of cardiovascular morbidity and mortality. Worldwide prevalence is continuing to increase. Treatment for hypertension is constantly evolving and many new drugs a...
ANTIDIABETIC AND ANTIHYPERLIPIDEMIC ACTIVITY OF DRACAENA CINNABARI BALF. RESIN ETHANOLIC EXTRACT OF SOQATRA ISLAND IN EXPERIMENTAL ANIMALS
Dracaena Cinnabari balf is a species plant in Agavaceae family. It is a tree endemic to the Island of Socotra,Yemen. It was used as a dye and medicine in Socotra and the Mediterranean basin. Some researches demonstrate...
PREVALENCE AND ASSOCIATED FACTORS OF ORAL NON-CANDIDA ALBICANS CANDIDA CARRIAGE IN DENTURE WEARERS IN SANA'A CITY- YEMEN
The objective of this study was to contrast the prevalence and species of colonization of Non-Candida albicans (NCAC) in the oral cavity of denture wearers and non-denture wearers; also asses associated risk factors of t...
BUCCAL DRUG DELIVERY SYSTEM: A TOOL FOR THE EFFECTIVE DELIVERY OF PHARMACEUTICALS
The Buccal drug delivery system includes drug administration through the buccal mucosa, mainly composed of the lining of the cheeks. Buccal drug delivery system provides a convenient route of administration for both syst...