Editor: Teodorico C. Ramalho

Chemoinformatics: Directions Toward Combating Neglected Diseases

eBook: US $39 Special Offer (PDF + Printed Copy): US $138
Printed Copy: US $119
Library License: US $156
ISBN: 978-1-60805-502-9 (Print)
ISBN: 978-1-60805-183-0 (Online)
Year of Publication: 2012
DOI: 10.2174/97816080518301120101

Introduction

Low-income populations in developing regions of Africa, Asia and the Americas have been particularly injured by a group of tropical infections denominated neglected diseases. Compared to important illnesses, neglected diseases do not enjoy significant research funding and are not considerably important targets for the “Big Pharma” ventures in terms of development of new drugs, though these infections can make widespread diseases like AIDS more deadly. Despite affecting millions of people around the world, causing many deaths and having a significant limiting influence on the quality of life of affected people, the selection of new molecular targets and the development of more efficient drugs against those diseases is scarce. Furthermore, little detailed computational work on this subject has appeared. It should be kept in mind, however, that computers are an essential tool in modern medicinal chemistry. Currently, these powerful computational tools allow one to obtain insights on the interaction between enzyme-substrate, reaction mechanisms, statistical behavior of molecules and much more, at the molecular level, contributing significantly to solve problems in biological systems. Chemoinformatics: Directions Toward Combating Neglected Diseases explores an open problem in academic literature with a stimulating discussion on the state of the art knowledge in this important research field with respect to neglected diseases, pointing out perspectives on using molecular modeling and theoretical approaches. This eBook is a handy reference guide for anyone who is interested in or deals with medicinal chemistry focused on neglected diseases, from students to advanced researchers.

Indexed in: Book Citation Index, Science Edition, BIOSIS Previews, Scopus, EBSCO.

Foreword

- Pp. i
Tanox Celmar Costa França
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Preface

- Pp. ii
Teodorico C. Ramalho, Matheus P. Freitas and Elaine F.F. da Cunha
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List of Contributors

- Pp. iii
Teodorico C. Ramalho, Matheus P. Freitas and Elaine F.F. da Cunha
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New Approaches to the Development of Anti-Protozoan Vaccine and Drug Candidates: A Review of Patents

- Pp. 3-32 (30)
Elaine F.F. da Cunha, Teodorico C. Ramalho, Daiana T. Mancini and Matheus P. Freitas

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Quantitative Structure Activity Analysis of Leishmanicidal Compounds

- Pp. 33-48 (16)
Alicia Ponte-Sucre, Emilia Díaz and Maritza Padrón-Nieves

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Antimalarial Agents: Homology Modeling Studies

- Pp. 49-68 (20)
Tanos C.C. França and Magdalena N. Rennó

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Antitubercular Agents: Quantitative Structure Activity Relationships and Drug Design

- Pp. 69-128 (60)
Mushtaque S. Shaikh, Vijay M. Khedkar and Evans C. Coutinho

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Antileishmaniasis Agents: Molecular Dynamics Simulations

- Pp. 129-144 (16)
Tanos Celmar Costa França and Alan Wilter Sousa da Silva

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Chagas’ Disease

- Pp. 145-153 (9)
Adriana de Oliveira Gomes, Alessandra Mendonça Teles de Souza, Alice Maria Rolim Bernardino, Helena Carla Castro and Carlos Rangel Rodrigues

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Multivariate Image Analysis Applied to QSAR as a Tool for Mosquitoes Control: Dengue and Yellow Fever

- Pp. 154-161 (8)
Matheus P. Freitas, Teodorico C. Ramalho, Elaine F. F. da Cunha and Rodrigo A. Cormanich

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Molecular Modeling of the Toxoplasma gondii Adenosine Kinase Inhibitors

- Pp. 162-173 (12)
Daiana Teixeira Mancini, Elaine F. F. da Cunha, Teodorico C. Ramalho and Matheus P. Freitas

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An Overview of Tropical Parasitic Diseases: Causative Agents, Targets and Drugs

- Pp. 174-196 (23)
Carlton Anthony Taft and Carlos Henrique Tomich de Paula da Silva

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Index

- Pp. 197-199 (3)
Teodorico C. Ramalho, Matheus P. Freitas and F. F. da Cunha Elaine
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