Application of crystallography in drug discovery and pharmaceuticals: Basic principles of crystallography; Crystallization proteins, nucleic acids and complexes ; Crystal characterization; Growing protein crystals; Finding optimal conditions of the crystal growth; Judging crystal quality; Protein crystals- size, structural integrity and mosaicity; Multiple crystalline forms; Water content; Solution structure and crystal structure; Mounting crystal for data collection. Intellectual property- concepts and fundamentals: Nature, mechanism and significance of IPRs for researchers and professionals. Economic importance. Role of IP in Bioinformatics.
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Download PDF Abstract Pharmaceutical science having many branches which helps us to develop many novel drug discoveries and development. Pharmacoinformatics is one of the relevant and novel topics which elucidating the drug discovery process by using various tools. As we know that it is an emerging filed which combines the bioinformatics and pharm field together to develop novel compounds in current research. Keywords Pharmacoinformatics, Drug discovery, Bioinformatics, Pharmacogenomics, Cheminformatics Introduction The Pharmacoinformatics is an emerging field in which the drug development and modernization of drug discoveries using various bioinformatics field by using various statistical methods and algorithms like artificial Neural Networks, Capacity Building, Cluster analysis and data mining, Computing paradigms, Education, Information representation, Pharmacoinformatics infrastructure, Pharmacovigilance, Pharmacy management, Reporting systems, etc.
Pharmacoinformatics is a newly launched branch in India at National Institute of Pharmaceutical Education and Research in the year of The drug development using in vitro methods is a time taking and costly process [ 1 - 6 ]. By using Pharmacoinformatics we can develop various types of drug candidates by using different computational tools and it is cheap and less time taking than the in vitro methods [ 7 - 13 ].
The drugs which were developed has been conducted several tests and then they can be developed by using in vitro methods. By using these methods the novel drug discovery in pharmaceutical fields were increased and the candidates who were developed are going through different tests to exceed their biological activities. Pharmacoinformatics and Their Branches In Drug Discoveries Pharmacoinformatics is also known as the interface of technology with the practice of pharmacy Figure 1 [ 14 - 16 ].
It is an emerging field in which we use several disciplines like Pharmacogenomics, Bioinformatics and Cheminformatics for the invention of drugs for the clinical use of medications in individuals and populations. In pharmacy, this field helps us to develop new drug candidates by using different technologies [ 17 - 22 ]. Figure 1: Classification of Pharmacoinformatics. Pharmacogenomics Pharmacogenomics was first invented by Pythagoras.
When he is performing scientific studies on fava bean injection with haemolytic anemia and oxidative stress accidentally he found about genes were responsible for favism and he recognized it has a genomic studies [ 23 - 30 ].
However, the term pharmacogenomics was first coined by Frienrich Vogel in the year of Later, in the twin studies supported us to recognize the genomic involvement in metabolism of drug candidates. The pharmacogenomics is the study of the role of the genome in drug response. The name itself indicates that the combination of pharmacology and genomics.
The studies help us to recognize the drug biological actions Pharmacodynamics and Pharmacokinetics. By using these studies we can predict the inherited genetic variation on drug response in patients by comparing their correlated gene expression or biological actions like pharmacodynamics actions or pharmacodynamics actions which includes absorption, distribution, metabolism and elimination as well as targeted drug receptor effects [ 31 - 35 ].
Pharmacogenomics enclose a more genome-wide association approach, incorporating genomics and epigenetics for drug response. Bioinformatics Bioinformatics is a trending field, which combines the biological studies with informatics techniques to develop effective pharmaceutical drug candidates [ 36 - 42 ]. It was an emerging field in pharmaceutical science for developing novel drug molecules by performing various in silico methods Figure 2.
Various computational tools were used for drug design and development. Current days the term bioinformatics has enlarged and incorporated too many other fields of biological sciences like gene expression, protein-protein interaction studies and microarrays, functional analysis of biomolecules and new drug entities [ 43 - 51 ]. The above mentioned fields will use different kind of databases, algorithms and statistical methods to perform their functions.
Figure 2: Bioinformatics in drug discovery process. There are three important sub-disciplines in Bioinformatics: the development of new algorithms and novel statistical methods, which helps us to assess relationships among members of large data sets;the analysis and interpretation of many types of data containing nucleotide and amino acid sequences, protein domains, and protein structures;and the evolution and implementation of novel tools that enable efficient access and management of different types of information" [ 52 - 58 ].
Chemo informatics Chemo informatics is the informatics technique to solve chemical problems with the help of informatics tools. It helps in all types of chemistry related fields like chemistry from analytical chemistry to develop novel drug molecules. At present, we are facing several problems and still many chemical challenges waiting for clear solutions by using Cheminformatics Figure 3 [ 59 - 65 ].
Figure 3: Flow char of Cheminformatics in drug discovery. The term Cheminformatics first mentioned by Frank Brown in So chemo informatics is helpful in drug design, Greg Paris came up with a much broader definition [ 66 - 72 ]. The current schema of Cheminformatics in drug designing is given below: Analysis of predesigned drug structure structural property prediction QSAR property prediction by smiles format perform some modification in prior drug again predict the drug property if variation occurs in novel structure save that structure and design a fragment library [ 73 - 81 ].
Cheminformatics is a generic term that encompasses the design, creation, organization, management, retrieval, analysis, dissemination, visualization, and use of chemical information.
These descriptors explaining the properties like steric, topologic, electronic, and hydrophobic of numerous molecules, have been determined through empirical methods, and only more recently by computational methods [ 83 - 91 ]. Figure 4: Descriptors of compounds with their biological activities.
Conclusion After thoroughly reviewing many topics we have discussed several information technology endeavored to the pharmaceutical industry which helps for novel drug discovery [ 95 - ]. In future, these attempts were expected to grow both in terms of their reliability and scope.
Pharmacoinformatics would be an emerging technology field and it becoming an essential component of pharmaceutical sciences and industry for novel discoveries. References Parteni O, et al. J Pharm Drug Deliv Res Strehlow B, et al.
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Pharmacoinformatics in Modern Drug Discovery
Introduction[ edit ] The main idea behind the field is to integrate different informatics branches e. The first reference of the term "Pharmacoinformatics" can be found in the year of Nagar, India in Definition[ edit ] Pharmacoinformatics is also referred to as pharmacy informatics. Pharmacy informaticists work with pharmacy information management systems that help the pharmacist safe decisions about patient drug therapies with respect to, medical insurance records, drug interactions, as well as prescription and patient information.