Bentham Science Publishers

Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity.

The third volume of this series features four chapters covering in silico approaches to computer aided drug design, modeling of platinum and adjuvant anti-cancer drugs, allostery in proteins and studies on the theory of chemical space in electron systems.

Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity.

The fifth volume of this series features these six chapters:

- Recent Advances and Role of Computational Chemistry in Drug Designing and Development on Viral Diseases

- Molecular Modeling Applied to Design of Cysteine Protease Inhibitors – A Powerful Tool for the Identification of Hit Compounds Against Neglected Tropical Diseases

- Application of Systems Biology Methods in Understanding the Molecular Mechanism of Signalling Pathways in the Eukaryotic System

- Implementation of the Molecular Electrostatic Potential over GPUs: Large Systems as Main Target

- Molecular Electron Density Theory: A New Theoretical Outlook on Organic Chemistry

- Frontier Molecular Orbital Approach to the Cycloaddition Reactions

Frontiers in Computational Chemistry (Volume 7) offers a comprehensive overview of the latest advances in molecular modeling techniques for drug discovery and development. This book focuses on key computational approaches such as rational drug design, adsorption studies, quantum mechanical calculations, and molecular interactions in drug development. It provides insights into lead generation, optimization, and the creation of novel chemical entities targeting various biological mechanisms, including inflammation.

The chapters explore modern computational tools and their applications, particularly in low—and middle-income countries (LMICs). The book is essential for researchers, academics, and professionals in computational chemistry, molecular modeling, and pharmaceutical sciences.Students and researchers.

Frontiers in Drug Design and Discovery is a book series devoted to publishing the latest and the most important advances in drug design and discovery. Eminent scientists have contributed chapters focused on all areas of rational drug design and drug discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. This book series should prove to be of interest to all pharmaceutical scientists who are involved in research in drug design and discovery and who wish to keep abreast of rapid and important developments in the field.

The tenth volume of this series brings together reviews covering topics related to the treatment of neoplasms, systems biology, respiratory diseases among others.

Topics included in this volume are:

- Recombinant Protein Production: from Bench to Biopharming

- Plant Virus Nanoparticles and Virus like Particles (VLPs): Applications in Medicine

- MAO Inhibitory Activity Of 4, 5-Dihydro-1 HPyrazole Derivatives: A Platform To Design Novel Antidepressants

- Flavonoids Antagonize Effects of Alcohol in Cultured Hippocampal Neurons: A Drug Discovery Study

- Hybrid Smart Materials for Topical Drug Delivery: Application of Scaffolds

Frontiers in Drug Design and Discovery is a book series devoted to publishing the latest and the most important advances in drug design and discovery. Eminent scientists have contributed chapters focused on all areas of rational drug design and drug discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. This book series should prove to be of interest to all pharmaceutical scientists who are involved in research in drug design and discovery and who wish to keep abreast of rapid and important developments in the field.

Volume 12 of this series brings together reviews covering homology modeling and anti-infective drug discovery.

Topics included in this volume are:

- Homology Modelling: A Computational Tool in Drug Design and Discovery

- Anti-trypanosomatid Drugs/Candidates in Clinical Trials: What's New and What's Missing?

- Nitroheterocyclics As Anti-Tuberculosis Agents: An Overview

- SARS-CoV-2 Protease Inhibitors of Natural Origin: Current Scenario and Future Prospects as Anti-COVID-19 Agents

Frontiers in Drug Design and Discovery is a book series devoted to publishing the latest and the most important advances in drug design and discovery. Eminent scientists write contributions on all areas of rational drug design and drug discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. The book series should prove to be of interest to all the pharmaceutical scientists involved in research in drug design and discovery. Each volume is devoted to the major advances in drug design and discovery.

The book series is essential reading to all scientists involved in drug design and discovery who wish to keep abreast of rapid and important developments in the field.

The book series is available in print, online and CD editions.

Frontiers in Drug Design and Discovery is a book series devoted to publishing the latest and the most important advances in drug design and discovery. Eminent scientists write contributions on all areas of rational drug design and drug discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. The book series should prove to be of interest to all the pharmaceutical scientists involved in research in drug design and discovery. Each volume is devoted to the major advances in drug design and discovery.

The book series is essential reading to all scientists involved in drug design and discovery who wish to keep abreast of rapid and important developments in the field.

The book series is available in print, online and CD editions.

Frontiers in Drug Design and Discovery is a book series devoted to publishing the latest and the most important advances in drug design and discovery. Eminent scientists have contributed chapters focused on all areas of rational drug design and drug discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. This book series should prove to be of interest to all pharmaceutical scientists who are involved in research in drug design and discovery and who wish to keep abreast of rapid and important developments in the field.

This book brings together eleven topics on different aspects of fractional calculus in a single volume. It provides readers the basic knowledge of fractional calculus and introduces advanced topics and applications. The information in the book is presented in four parts:

1. Fractional Diffusion Equations: (i) solutions of fractional diffusion equations using wavelet methods, (ii) the maximum principle for time fractional diffusion equations, (iii) nonlinear sub-diffusion equations.

2. Mathematical Analysis: (i) shifted Jacobi polynomials for solving and identifying coupled fractional delay differential equations, (ii) the monotone iteration principle in the theory of Hadamard fractional delay differential equations, (iii) dynamics of fractional order modified Bhalekar-Gejji System, (iv) Grunwald-Letnikov derivatives.

3. Computational Techniques: GPU computing of special mathematical functions used in fractional calculus.

4. Reviews: (i) the popular iterative method NIM, (ii) fractional derivative with non-singular kernels, (iii) some open problems in fractional order nonlinear system

This is a useful reference for researchers and graduate level mathematics students seeking knowledge about of fractional calculus and applied mathematics.

Frontiers in Medicinal Chemistry is a book series devoted to the review of areas of important topical interest to medicinal chemists and others in allied disciplines. Frontiers in Medicinal Chemistry covers all the areas of medicinal chemistry, including developments in rational drug design, bioorganic chemistry, high-throughput screening, combinatorial chemistry, compound diversity measurements, drug absorption, drug distribution, metabolism, new and emerging drug targets, natural products, pharmacogenomics, chemoinformatics, and structure-activity relationships.

Medicinal chemistry as a discipline is rapidly maturing. The study of how structure and function are related is absolutely essential to understanding the molecular basis of life. Frontiers in Medicinal Chemistry aims to contribute in a major way to the growth of scientific knowledge and insight, and facilitate the discovery and development of new therapeutic agents to treat debilitating human disorders. This book series is essential for any medicinal chemist who wishes to be kept informed and up-to-date with the latest and the most important advances.