Chem-bioinformatics: Computational Alternatives to Clinical Diagnosis, Treatment and Preventative Measures

Samiha Nuzhat, Mahtabin Rodela Rozbu, Christine Thevamirtha, Maryam Wardeh, Fatema -Tuz-Zohora, AKM Moniruzzaman Mollah, Sweety Angela Kuldeep, Mosae Selvakumar Paulraj · BENTHAM SCIENCE PUBLISHERS eBooks · 2025

Nowadays, chem-bioinformatics tools are widely used for genomic and proteomic data analysis, gene prediction, genome annotation, expression profiling, biological network building, and many more purposes. Clinical applications of such computational approaches are also needed to ensure real-life implementation of findings from the fields of cheminformatics and bioinformatics. Despite being a new field of science, studies found huge significance and interconnectivity of cheminformatics and bioinformatics approaches in modern medical science. Identification of cancer biomarkers, for instance, has been possible via bioinformatics tools mediated in-depth genome analysis, resulting in cancer susceptibility being easily calculated nowadays using a bioinformatics approach. In addition, bioinformatics tools are helping docking studies in the prediction of anticancer drug structures as well. Also, genome analysis of patients using bioinformatics techniques is the initial requirement for personalized therapeutics designing in cancer treatment. Additionally, in recent times, computer-aided drug designing has benefited since bioinformatics tools offer easier determination of effective active sites and potential side-effects of the predicted drug on system biology and genetics constitution. Besides, diagnosis and treatment of infectious diseases often require a suitable bioinformatics approach to study hostpathogen interaction. Moreover, treatment of metabolic disorders, complex genetic disorders, point of care diagnostics, observation of drug efficacy, etc. are controlled, monitored, and modified using multiple bioinformatics tools by manipulating the biological data sets. Such various applications can benefit the medical sector in multiple clinical processes. Realizing these, this book chapter aims to explore some of such major applications of chem-bioinformatics studies in the medical sector; mostly in terms of diagnosis, treatment, and prevention of diseases.

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