This volume assembles and integrates the wealth of diverse information that is now accumulating in this burgeoning field. The existing and potential therapeutic applications of targeting CA cover a remarkably wide-range of diseases and disorders and have generated increasing and extensive interest in recent years. Its inter-disciplinary approach embraces both the most up-to-date therapeutic application of CA-targeting and the latest research data that will provide a platform for the development of novel applications. The interested audience comprises scientists and clinicians from many relevant disciplines within science and medicine.

Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development aims at showcasing different structure-based, ligand-based, and machine learning tools currently used in drug design. It also highlights special topics of computational drug design together with the available tools and databases. The integrated presentation of chemometrics, cheminformatics, and machine learning methods under is one of the strengths of the book.The first part of the content is devoted to establishing the foundations of the area. Here recent trends in computational modeling of drugs are presented. Other topics present in this part include QSAR in medicinal chemistry, structure-based methods, chemoinformatics and chemometric approaches, and machine learning methods in drug design. The second part focuses on methods and case studies including molecular descriptors, molecular similarity, structure-based based screening, homology modeling in protein structure predictions, molecular docking, stability of drug receptor interactions, deep learning and support vector machine in drug design. The third part of the book is dedicated to special topics, including dedicated chapters on topics ranging from de design of green pharmaceuticals to computational toxicology. The final part is dedicated to present the available tools and databases, including QSAR databases, free tools and databases in ligand and structure-based drug design, and machine learning resources for drug design. The final chapters discuss different web servers used for identification of various drug candidates. - Presents chemometrics, cheminformatics and machine learning methods under a single reference - Showcases the different structure-based, ligand-based and machine learning tools currently used in drug design - Highlights special topics of computational drug design and available tools and databases

This volume assembles and integrates the wealth of diverse information that is now accumulating in this burgeoning field. The existing and potential therapeutic applications of targeting CA cover a remarkably wide-range of diseases and disorders and have generated increasing and extensive interest in recent years. Its inter-disciplinary approach embraces both the most up-to-date therapeutic application of CA-targeting and the latest research data that will provide a platform for the development of novel applications. The interested audience comprises scientists and clinicians from many relevant disciplines within science and medicine.

Bacterial Carbonic Anhydrases, Volume 55 in The Enzymes series, highlights new advances in the field, with this new volume presenting interesting chapters on a variety of timely topics, including Overview on bacterial CA genetic families, Bacterial a-CAs, Bacterial ß-CAs, Bacterial ?-CAs, Bacterial ?-CAs, Sulfonamide bacterial CA inhibitors, Non-sulfonamide bacterial CA inhibitors, Helicobacter pylori CA inhibition, Neisseria gonorrhea CA inhibition, Vancomycin resistant enterococci CA inhibition, Pseudomonas aeruginosa CA inhibition, Mycobacterium tuberculosis CA inhibition, and Challenges for developing bacterial CA inhibitors as novel antibiotics. - Provides the authority and expertise of leading contributors from an international board of authors - Presents the latest release in The Enzymes series - Highlights new advances on bacterial carbonic anhydrases

Carbonic Anhydrases provides an interdisciplinary review of the burgeoning carbonic anhydrase (CA) research area, spanning from CAs classification (biochemical and structural features) to drug design and pharmacology of CA inhibitors and activators, finally touching on the biotechnological applications of these metalloenzymes. The book adopts a clear step-by-step approach and introduction to this intricate and highly interdisciplinary field. A diverse range of chapters from international experts speak to CA classification and distribution, the mechanisms of action and drug design of inhibitors and activators, the druggability of the various isoforms in the treatment of a multitude of diseases, and threats to human health. Carbonic Anhydrases provides biology, biochemistry, and medicinal chemistry students and researchers a thorough discussion and update on the evergreen and expanding research area of CAs. - Offers a full overview of CAs' biochemical and structural features, as well as drug design and pharmacology of inhibitors and activators - Provides a thorough update on the newly identified isoforms, modulating chemotypes, and innovative biomedical applications - Describes the current biotechnological applications of CAs, including processes for CO2 capture - Features chapter contributions from international leaders in CA biology, medicinal chemistry, and pharmacology

An essential outline of the main facets of polypharmacology in drug discovery research Extending drug discovery opportunities beyond the "one drug, one target" philosophy, a polypharmacological approach to the treatment of complex diseases is emerging as a hot topic in both industry and academic research. Polypharmacology in Drug Discovery presents an overview of the various facets of polypharmacology and how it can be applied as an innovative concept for developing medicines for treating bacterial infections, epilepsy, cancer, psychiatric disorders, and more. Filled with a collection of instructive case studies that reinforce the material and illuminate the subject, this practical guide: Covers the two-sided nature of polypharmacology—its contribution to adverse drug reactions and its benefit in certain therapeutic drug classes Addresses the important topic of polypharmacology in drug discovery, a subject that has not been thoroughly covered outside of scattered journal articles Overviews state-of-the-art approaches and developments to help readers understand concepts and issues related to polypharmacology Fosters interdisciplinary drug discovery research by embracing computational, synthetic, in vitro and in vivo pharmacological and clinical aspects of polypharmacology A clear road map for helping readers successfully navigate around the problems involved with promiscuous ligands and targets, Polypharmacology in Drug Discovery provides real examples, in-depth explanations and discussions, and detailed reviews and opinions to spark inspiration for new drug discovery projects.

Frontiers in Pharmacology was launched in 2010, with a number of sections which were eventually reorganized. The founding Field Chief Editor was Prof. Théophile Godfraind, an eminent scientist active in cardiovascular pharmacology, who pioneered the discovery of calcium antagonists. At that time he invited me to serve as Chief Editor for a section named “Analytical and Experimental Pharmacology”. Later on, our section enlarged and was re-named as “Experimental Pharmacology and Drug Discovery” to outline the translational potential of fundamental pharmacological research and theoretical analysis to the improvement of human health, through the invention of novel medicinal products. We are now entering the 10th year of editorial activity, which sees the publication of the 1,000th paper in our section. Such an achievement is very rewarding for us and our community, but it is even more remarkable when placed into the timeline of our development. In fact, in a 10-year frame we have significantly grown in quantity and quality, e.g. both in number of published papers and in scientific impact. [From a personal perspective by Salvatore Salomone, Specialty Chief Editor]

Various aspects, including diagnosis, therapy, and prognosis, of two brain tumors (meningioma and schwannoma) , of brain tumors are discussed in this volume. Insights on the understanding of molecular pathways involved in brain tumor biology are explained. For example, the role of E-cadherin gene instability, carbonic anhydrase 11, urokinase plasminogen activator, and Wnt signaling is discussed in detail. Such information will lead to the development of effective aniicancer drugs. The role of molecular genetics and epigenetic mechanisms in schwannomas is explained. Also, is explained the role of cyclin D1 in vestibular schwannoma. The determination of subtypes of meningiomas using perfusion magnetic resonance imaging is explained. Diagnosis of incidentally discovered meningioma and cystic papillary meningioma is also included. Diagnosis of facial nerve schwannoma, vestibular schwannoma, and intermediate nerve schwannoma is explained. Treatments for atypical meningioma, oncocytic meneingioma, intracranial meningioma, and cavernous are presented. Therapeutic methods such as neurosurgery, Gamma knife radiosurgery, and adjuvant radiation for this cancer are included. Large number of other treatments, including radiosurgery, retrosigmoidal craniotomy, and immunotherapy, for vestibular schwannoma patients are detailed.