Bees are critically important for ecosystem function and biodiversity maintenance through their pollinating activity. This book provides a collection of computational methods to those primarily interested in the study of the ecology, ethology, and ecotoxicology of bees. It presents numerous case studies to enable readers to understand the appropriateness but also the limitations of models in theoretical and applied bee research. Written by an international team of experts, this book covers...

Recent and ongoing epidemiological studies point to the beneficial health effects of dietary polyphenols, with evidence suggesting that individuals with a high intake of polyphenol-rich foods have less incidence of noncommunicable diseases like diabetes, cardiovascular problems, and cancer. Multidisciplinary research on dietary polyphenols and what causes them to exert such benefits has led to discoveries which can help us to understand the mechanisms of action of these molecules, ...

This book brings together a rigorously peer-reviewed selection of research papers reflecting recent developments in pharmaceutical sciences, clinical therapeutics, and analytical approaches in healthcare.This book covers a broad range of topics, including computational drug discovery and molecular modelling, advanced pharmaceutical formulation and nanotechnology, evidence synthesis via systematic reviews and meta-analyses, pharmacogenetics, and the application of artificial intelli...

Computational approaches offer researchers unique insights into the structure, characteristics, and properties of macromolecules. However, with applications across a broad range of areas, various methods have been developed for exploring macromolecules in in silico; therefore, it can be difficult for researchers to select the most appropriate method for their specific needs. Covering both biopolymers and synthetic polymers, In-Silico Approaches to Macromolecular Chemistry familiarizes read...

Inhaled medicines are widely used to treat pulmonary and systemic diseases. The efficacy and safety of these medicines can be influenced by the deposited fraction, the regional deposition pattern within the lungs and by post-depositional events such as drug dissolution, absorption and clearance from the lungs. Optimizing performance of treatments thus requires that we understand and are able to quantify these product and drug attributes. Inhaled Medicines: Optimizing Development through In...

In Silico Drug Design: Repurposing Techniques and Methodologies explores the application of computational tools that can be utilized for this approach. The book covers theoretical background and methodologies of chem-bioinformatic techniques and network modeling and discusses the various applied strategies to systematically retrieve, integrate and analyze datasets from diverse sources. Other topics include in silico drug design methods, computational workflows for drug repurposing, and net...

Phytochemistry is the branch of science that deals with the study of plant-derived chemicals or compounds, which are also known as phytochemicals or plant-derived secondary metabolites. Plants are known to produce phytochemicals that are essential for their growth and reproduction, as they protect them from insects, pathogens, and herbivores. Some of the major groups of plant-derived secondary metabolites are phenolics, flavonoids, terpenoids, alkaloids, tannin etc.Plant-derived ph...

Drug discovery is an expensive, time-consuming process and the modern drug discovery community is constantly challenged not only with discovering novel bioactive agents to combat resistance from known diseases and fight against new ones, but to do so in a way that is economically effective. Advances in both experimental and theoretical/computational methods envisage that the greatest challenges in drug discovery can be most successfully addressed by using a multi-scale approach, drawing on...

In Silico Drug Discovery and Design: Theory, Methods, Challenges, and Applications provides a comprehensive, unified, and in-depth overview of the current methodological strategies in computer-aided drug discovery and design. Its main aims are to introduce the theoretical framework and algorithms, discuss the range of validity, strengths and limita

Nanotechnology and In Silico Tools: Natural Remedies and Drug Discovery provides the latest information and updates in the area of drug discovery. It covers aspects like nanomedicines, bioinformatics, molecular docking, molecular modeling, QSAR, virtual screening and computational chemistry as well as metabolomics research using various tools. The drug discovery process accelerates the design of new leads for various life-threatening diseases and natural medicines. Silico tools have been a...

This book covers in silico clinical trials of cardiovascular disease using a finite element and machine learning approach. Part I describes the fundamentals as well as the latest developments in the field: finite element modeling, system biology modeling for drug optimization, artificial intelligence approach for medical image processing, as well as pharmacokinetic and AI modeling. Part II provides use cases to describe how in silico clinical trials of cardiovascular disease are applied to...

Coronavirus Drug Discovery, Volume Three: Druggable Targets and In Silico Update presents comprehensive information on drug discovery against COVID-19. Chapters in Part One of this volume describe the various druggable targets and associated signaling pathways for effective targeting of SARS-CoV-2. In Part Two, chapters discuss the various computational approaches and in silico studies against SARS-CoV-2. Written by global team of experts, this book is an excellent resource that will be ex...