20th World Conference on Pharmaceutical Chemistry and Drug Design

                                             4D-QSAR IN DRUG DESIGN Computational methods play a crucial role in modern medicinal chemistry , presenting a unique potential for transforming the early phases of drug research, particularly in terms of time and cost savings. Most of the techniques used in structure-based drug design have experienced significant improvements in the past few years, resulting in a remarkable enhancement of the speed and the efficacy of this approach. The successful application of 4D-QSAR models to generate 3D pharmacophores of ligand-receptor data sets, to analyze and design of virtual libraries, showing that it can be a powerful tool in the early stages of drug discovery process . 4D-QSAR analysis can also be applied to non-medicinal chemistry and bio...

                                   APPROACHES IN PHARMACOVIGILANCE The importance of pharmacovigilance the ongoing assessment of the safety of a marketed medicine has been increasingly appreciated in recent years, owing in part to high-profile safety issues with widely used drugs. In response, strategies to improve the collection, integration and analysis of data related to post-marketing drug safety are being initiated or enhanced. The key tools that are available for pharmacovigilance are appropriate to use in different situations and consider the future directions of the field. Study designs used in pharmacovigilance Case reports and case series:   Case reports are concerned with single patients who have been exposed to a drug and experienced an adverse reaction. Case series can refer to a collection of patients who have been exposed to the same drug and whose clinical outco...

MOLECULAR MODELING IN PHARMACEUTICAL CHEMISTRY AND DRUG DESIGN Specially designed computer software is revolutionizing procedures for structured or rational drug design and discovery. Drug design is a creative act of the same magnitude as composing, sculpting, or writing. Drug Design manually serves for the analysis of molecular structure and the correlation of these structures with pharmacological reactions . In understanding the three-dimensional aspects in the specificity of drug-receptor interactions at the molecular level Molecular modeling plays an important role. Opportunities has been created by Molecular modeling in assisting medicinal chemists in the design of new therapeutic agents. High-performance computing and graphics tools are brought within reach of most academic and industrial laboratories by the developments made in theoretical medicinal chemistry and computer hardware, facilitating the approaches for the development of rational drug design. ...

ADVANCEMENTS IN COMPUTER-AIDED DRUG DESIGN The research fields in chemical engineering have always been changing and evolving, from the field of applied industrial chemistry at the beginning of the last century, through the revolutionary reformulation of unit operations, transport phenomena and engineering science in the 1960s, to the extensive use of computing technology and the incorporation of molecular biology over the last two decades. Indeed, the integration of computational force and molecular biology, such as to simulate the behavior of molecules, is becoming a mainstream in the chemical engineering research and has received much attention from the pharmaceutical industries. The two major application areas of CADD, include structure-based drug design and ligand-based drug design. Structure-based drug design relies on three-dimensional knowledge of the receptor structure and its active sites to investigate interaction, binding energy and steric relationship betw...