Natural Products as Leads in Schistosome Drug Discovery

TMDB: A literature-curated database for small molecular compounds found from tea

(2014) Yi Yue et al.   BMC PLANT BIOLOGY

3D-QSAR Approaches in Drug Design: Perspectives to Generate Reliable CoMFA Models

(2014) Cleber Melo-Filho et al.   Current Computer-Aided Drug Design

Virtual Screening Strategies in Medicinal Chemistry: The State of the Art and Current Challenges

(2014) Rodolpho Braga et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances

(2014) Evanthia Lionta et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening

(2014) Karen T. Schomburg et al.   Journal of Chemical Information and Modeling

Structure-Based Virtual Screening Approach for Discovery of Covalently Bound Ligands

(2014) Dora Toledo Warshaviak et al.   Journal of Chemical Information and Modeling

Discovery of Inhibitors of Schistosoma mansoni HDAC8 by Combining Homology Modeling, Virtual Screening, and in Vitro Validation

(2014) Srinivasaraghavan Kannan et al.   Journal of Chemical Information and Modeling

Consensus Scoring Approach To Identify the Inhibitors of AMP-Activated Protein Kinase α2 with Virtual Screening

(2014) Hwangseo Park et al.   Journal of Chemical Information and Modeling

Human schistosomiasis

(2014) Daniel G Colley et al.   LANCET

Schistosoma mansoni: a method for inducing resistance to praziquantel using infected Biomphalaria glabrata snails

(2014) Flávia FB Couto et al.   MEMORIAS DO INSTITUTO OSWALDO CRUZ

Antischistosomal activity of a calcium channel antagonist on schistosomula and adult Schistosoma mansoni worms

(2014) Vanessa Silva-Moraes et al.   MEMORIAS DO INSTITUTO OSWALDO CRUZ

Flavonoids as Important Molecules of Plant Interactions with the Environment

(2014) Justyna Mierziak et al.   MOLECULES

Antischistosomal Activity of the Terpene Nerolidol

(2014) Marcos Silva et al.   MOLECULES

New Uses for Old Drugs: The Tale of Artemisinin Derivatives in the Elimination of Schistosomiasis Japonica in China

(2014) Yi-Xin Liu et al.   MOLECULES

A penta-substituted pyridine alkaloid from the rhizome of Jatropha elliptica (Pohl) Muell. Arg. is active against Schistosoma mansoni and Biomphalaria glabrata

(2014) Aldenir Feitosa dos Santos et al.   PARASITOLOGY RESEARCH

TIPdb-3D: the three-dimensional structure database of phytochemicals from Taiwan indigenous plants

(2014) C.-W. Tung et al.   Database-The Journal of Biological Databases and Curation

Serotonin Signaling in Schistosoma mansoni: A Serotonin–Activated G Protein-Coupled Receptor Controls Parasite Movement

(2014) Nicholas Patocka et al.   PLoS Pathogens

Characterization of Potential Drug Targets Farnesyl Diphosphate Synthase and Geranylgeranyl Diphosphate Synthase in Schistosoma mansoni

(2013) Peter D. Ziniel et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Discovery of new potential hits of Plasmodium falciparum enoyl-ACP reductase through ligand- and structure-based drug design approaches

(2013) Bruno J. Neves et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Optimization of Compound Ranking for Structure-Based Virtual Ligand Screening Using an Established FRED-Surflex Consensus Approach

(2013) Jiangfeng Du et al.   Chemical Biology & Drug Design

Fungal arachidonic acid-rich oil: research, development and industrialization

(2013) Xiao-Jun Ji et al.   CRITICAL REVIEWS IN BIOTECHNOLOGY

Assessing the Performance of 3D Pharmacophore Models in Virtual Screening: How Good are They?

(2013) Rodolpho C. Braga et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

In vivo effect of single oral dose of artemether against early juvenile stages of Schistosoma mansoni Egyptian strain

(2013) Samar N. El-Beshbishi et al.   EXPERIMENTAL PARASITOLOGY

Segmenting the Etiological Agent of Schistosomiasis for High-Content Screening

(2013) D. E. Asarnow et al.   IEEE TRANSACTIONS ON MEDICAL IMAGING

Flavonoids as prospective compounds for anti-cancer therapy

(2013) Divyashree Ravishankar et al.   INTERNATIONAL JOURNAL OF BIOCHEMISTRY & CELL BIOLOGY

Natural Products as a Source for Treating Neglected Parasitic Diseases

(2013) Dieudonné Ndjonka et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

QSAR Modeling: Where Have You Been? Where Are You Going To?

(2013) Artem Cherkasov et al.   JOURNAL OF MEDICINAL CHEMISTRY

Development of a Natural Products Database from the Biodiversity of Brazil

(2013) Marilia Valli et al.   JOURNAL OF NATURAL PRODUCTS

Taxol: Efficacy Against Oral Squamous Cell Carcinoma

(2013) Kaitlyn Ledwitch et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Malaria and artemisinin derivatives: an updated review

(2013) Muhammad Ansari et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Natural product isolation – how to get from biological material to pure compounds

(2013) Franz Bucar et al.   NATURAL PRODUCT REPORTS

Evaluation of dihydroisocoumarins produced by the endophytic fungusArthriniumstate ofApiospora montagneiagainstSchistosoma mansoni

(2013) Henrique P. Ramos et al.   NATURAL PRODUCT RESEARCH

Polyphenols: Multipotent Therapeutic Agents in Neurodegenerative Diseases

(2013) Khushwant S. Bhullar et al.   Oxidative Medicine and Cellular Longevity

Automated Imaging and other developments in whole-organism anthelmintic screening

(2013) R. A. Paveley et al.   PARASITE IMMUNOLOGY

Aldose reductase from Schistosoma japonicum: crystallization and structure-based inhibitor screening for discovering antischistosomal lead compounds

(2013) Jian Liu et al.   Parasites & Vectors

Neurotransmitter transporters in schistosomes: Structure, function and prospects for drug discovery

(2013) Paula Ribeiro et al.   PARASITOLOGY INTERNATIONAL

Efficacy of artemether and artesunate in mice infected with praziquantel non-susceptible isolate of Schistosoma japonicum

(2013) Wei Wang et al.   PARASITOLOGY RESEARCH

Artemisinins: Pharmacological actions beyond anti-malarial

(2013) Wanxing Eugene Ho et al.   PHARMACOLOGY & THERAPEUTICS

Anthelmintic Activity of the Natural Compound (+)-Limonene Epoxide against Schistosoma mansoni

(2013) Josué de Moraes et al.   PLANTA MEDICA

3-Oxoacyl-ACP Reductase from Schistosoma japonicum: Integrated In Silico-In Vitro Strategy for Discovering Antischistosomal Lead Compounds

(2013) Jian Liu et al.   PLoS One

TIPdb: A Database of Anticancer, Antiplatelet, and Antituberculosis Phytochemicals from Indigenous Plants in Taiwan

(2013) Ying-Chi Lin et al.   TheScientificWorldJOURNAL

Schistosoma mansoni Sirtuins: Characterization and Potential as Chemotherapeutic Targets

(2013) Julien Lancelot et al.   PLoS Neglected Tropical Diseases

Qinghaosu (artemisinin): Chemistry and pharmacology

(2012) Ying Li   ACTA PHARMACOLOGICA SINICA

Pharmacological actions and therapeutic applications of Salvia miltiorrhiza depside salt and its active components

(2012) Wen-yu Wu et al.   ACTA PHARMACOLOGICA SINICA

Antischistosomal Activities of Mefloquine-Related Arylmethanols

(2012) Katrin Ingram et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Thioredoxin Glutathione Reductase-Dependent Redox Networks in Platyhelminth Parasites

(2012) David L. Williams et al.   ANTIOXIDANTS & REDOX SIGNALING

Development of a Defined Medium for Arachidonic Acid Production by Mortierella alpina Using a Visualization Method

(2012) Xin Liu et al.   APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY

Inverse Virtual Screening allows the discovery of the biological activity of natural compounds

(2012) Gianluigi Lauro et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Quantification and clustering of phenotypic screening data using time-series analysis for chemotherapy of schistosomiasis

(2012) Hyokyeong Lee et al.   BMC GENOMICS

Fungal Transformation and Schistosomicidal Effects of Pimaradienoic Acid

(2012) Thiago S. Porto et al.   CHEMISTRY & BIODIVERSITY

Introduction of rm2(rank) metric incorporating rank-order predictions as an additional tool for validation of QSAR/QSPR models

(2012) Kunal Roy et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Virtual Screening Methods as Tools for Drug Lead Discovery from Large Chemical Libraries

(2012) X. H. Ma et al.   CURRENT MEDICINAL CHEMISTRY

Activity of Epiisopiloturine Against Schistosoma mansoni

(2012) L. M. Veras et al.   CURRENT MEDICINAL CHEMISTRY

The Potential of Secondary Metabolites from Plants as Drugs or Leads Against Protozoan Neglected Diseases - Part II

(2012) T.J. Schmidt et al.   CURRENT MEDICINAL CHEMISTRY

Dietary flavonoids and the development of type 2 diabetes and cardiovascular diseases

(2012) Rob M. van Dam et al.   CURRENT OPINION IN LIPIDOLOGY

Protein Flexibility and Ligand Recognition: Challenges for Molecular Modeling

(2012) Francesca Spyrakis et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

In VitroSchistosomicidal Activity of Some Brazilian Cerrado Species and Their Isolated Compounds

(2012) Nayanne Larissa Cunha et al.   Evidence-based Complementary and Alternative Medicine

Terpenoids: natural products for cancer therapy

(2012) Min Huang et al.   EXPERT OPINION ON INVESTIGATIONAL DRUGS

Real External Predictivity of QSAR Models. Part 2. New Intercomparable Thresholds for Different Validation Criteria and the Need for Scatter Plot Inspection

(2012) Nicola Chirico et al.   Journal of Chemical Information and Modeling

Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual Screening

(2012) Liying Zhang et al.   Journal of Chemical Information and Modeling

FRED and HYBRID docking performance on standardized datasets

(2012) Mark McGann   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies

(2012) Renata V. Bueno et al.   JOURNAL OF MOLECULAR MODELING

Natural Products As Sources of New Drugs over the 30 Years from 1981 to 2010

(2012) David J. Newman et al.   JOURNAL OF NATURAL PRODUCTS

Activity of compounds isolated fromBaccharis dracunculifolia D.C. (Asteraceae)against Paracoccidioides brasiliensis

(2012) Susana Johann et al.   MEDICAL MYCOLOGY

On the Use of the Metric rm 2 as an Effective Tool for Validation of QSAR Models in Computational Drug Design and Predictive Toxicology

(2012) K. Roy et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

NPACT: Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database

(2012) Manu Mangal et al.   NUCLEIC ACIDS RESEARCH

Therapeutic effect of alpha lipoic acid combined with praziquantel on liver fibrosis induced by Schistosoma mansoni challenged mice

(2012) Ekhlas H. Abdel-Hafeez et al.   PARASITOLOGY RESEARCH

Evaluation of the schistosomicidal activity of the steroidal alkaloids from Solanum lycocarpum fruits

(2012) Mariza Abreu Miranda et al.   PARASITOLOGY RESEARCH

Schistosomicidal evaluation of flavonoids from two species ofStyraxagainstSchistosoma mansoniadult worms

(2012) Caio Guedes Braguine et al.   PHARMACEUTICAL BIOLOGY

In Vitro Schistosomicidal Activity of Balsaminol F and Karavilagenin C

(2012) Cátia Ramalhete et al.   PLANTA MEDICA

Identification of Thioredoxin Glutathione Reductase Inhibitors That Kill Cestode and Trematode Parasites

(2012) Fabiana Ross et al.   PLoS One

Systematic Review and Meta-Analysis of Artemisinin Based Therapies for the Treatment and Prevention of Schistosomiasis

(2012) Luis Pérez del Villar et al.   PLoS One

Whole Organism High-Content Screening by Label-Free, Image-Based Bayesian Classification for Parasitic Diseases

(2012) Ross A. Paveley et al.   PLoS Neglected Tropical Diseases

Identification of plumbagin and sanguinarine as effective chemotherapeutic agents for treatment of schistosomiasis

(2012) Si-Ming Zhang et al.   International Journal for Parasitology-Drugs and Drug Resistance

In‐vivo activity of dihydroartemisinin againstSchistosoma japonicum

(2011) H‐J Li et al.   ANNALS OF TROPICAL MEDICINE AND PARASITOLOGY

Triterpenoids as inhibitors of erythrocytic and liver stages of Plasmodium infections

(2011) Cátia Ramalhete et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Enzymatic hydrolysis and extraction of arachidonic acid rich lipids from Mortierella alpina

(2011) Jiang-Ying You et al.   BIORESOURCE TECHNOLOGY

Modern Drug Discovery Technologies: Opportunities and Challenges in Lead Discovery

(2011) Rafael V. C. Guido et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Pharmacophore Modelling: A Forty Year Old Approach and its Modern Synergies

(2011) F. Caporuscio et al.   CURRENT MEDICINAL CHEMISTRY

Natural Products of Dietary Origin as Lead Compounds in Virtual Screening and Drug Design

(2011) Werner J. Geldenhuys et al.   CURRENT PHARMACEUTICAL BIOTECHNOLOGY

Macromolecular Bases of Antischistosomal Therapy

(2011) Francesco Angelucci et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Interactions of mefloquine with praziquantel in the Schistosoma mansoni mouse model and in vitro

(2011) J. Keiser et al.   JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY

Real External Predictivity of QSAR Models: How To Evaluate It? Comparison of Different Validation Criteria and Proposal of Using the Concordance Correlation Coefficient

(2011) Nicola Chirico et al.   Journal of Chemical Information and Modeling

FRED Pose Prediction and Virtual Screening Accuracy

(2011) Mark McGann   Journal of Chemical Information and Modeling

Comparative Studies on Some Metrics for External Validation of QSPR Models

(2011) Kunal Roy et al.   Journal of Chemical Information and Modeling

Inverse Virtual Screening of Antitumor Targets: Pilot Study on a Small Database of Natural Bioactive Compounds

(2011) Gianluigi Lauro et al.   JOURNAL OF NATURAL PRODUCTS

Databases aim to bridge the East-West divide of drug discovery

(2011) Katharine Sanderson   NATURE MEDICINE

Efficacy of praziquantel and artemisinin derivatives for the treatment and prevention of human schistosomiasis: a systematic review and meta-analysis

(2011) Rong Liu et al.   Parasites & Vectors

Effect of the in vivo activity of dihydroartemisinin against Schistosoma mansoni infection in mice

(2011) Hong-jun Li et al.   PARASITOLOGY RESEARCH

Effect of praziquantel prolonged administration on granuloma formation around Schistosoma japonicum eggs in lung of sensitized mice

(2011) Yi-xin Huang et al.   PARASITOLOGY RESEARCH

Effects of artemether, artesunate and dihydroartemisinin administered orally at multiple doses or combination in treatment of mice infected with Schistosoma japonicum

(2011) Hong-Jun Li et al.   PARASITOLOGY RESEARCH

TCM Database@Taiwan: The World's Largest Traditional Chinese Medicine Database for Drug Screening In Silico

(2011) Calvin Yu-Chian Chen   PLoS One

Molecular docking for virtual screening of natural product databases

(2011) Dik-Lung Ma et al.   Chemical Science

Outstanding challenges in protein-ligand docking and structure-based virtual screening

(2011) Bohdan Waszkowycz et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Characterization of the Phytochelatin Synthase of Schistosoma mansoni

(2011) Debalina Ray et al.   PLoS Neglected Tropical Diseases

In Vitro and In Vivo Activities of Arachidonic Acid against Schistosoma mansoni and Schistosoma haematobium

(2010) R. El Ridi et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Identification by high-throughput screening of inhibitors of Schistosoma mansoni NAD+ catabolizing enzyme

(2010) Isabelle Kuhn et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Karavilagenin C derivatives as antimalarials

(2010) Cátia Ramalhete et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Efficacy and Safety of Mefloquine, Artesunate, Mefloquine‐Artesunate, and Praziquantel againstSchistosoma haematobium: Randomized, Exploratory Open‐Label Trial

(2010) Jennifer Keiser et al.   CLINICAL INFECTIOUS DISEASES

Identification of Bioactive Natural Products by Pharmacophore-Based Virtual Screening

(2010) Daniela Schuster et al.   CURRENT PHARMACEUTICAL DESIGN

Schistosoma mansoni: In vitro schistosomicidal activity of piplartine

(2010) Josué de Moraes et al.   EXPERIMENTAL PARASITOLOGY

Schistosoma mansoni: Antischistosomal activity of the four optical isomers and the two racemates of mefloquine on schistosomula and adult worms in vitro and in vivo

(2010) Theresia Manneck et al.   EXPERIMENTAL PARASITOLOGY

Current strategies for drug discovery through natural products

(2010) Alan L Harvey et al.   Expert Opinion on Drug Discovery

Linked Thioredoxin-Glutathione Systems in Platyhelminth Parasites

(2010) Mariana Bonilla et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Discovery of New Inhibitors of Schistosoma mansoni PNP by Pharmacophore-Based Virtual Screening

(2010) Matheus P. Postigo et al.   Journal of Chemical Information and Modeling

pKa based protonation states and microspecies for protein–ligand docking

(2010) Tim ten Brink et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Flavonoids: New Roles for Old Molecules

(2010) Charles S. Buer et al.   Journal of Integrative Plant Biology

Efficacy of artesunate with sulfalene plus pyrimethamine versus praziquantel for treatment of Schistosoma mansoni in Kenyan children: an open-label randomised controlled trial

(2010) Charles O Obonyo et al.   LANCET INFECTIOUS DISEASES

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics

HIT: linking herbal active ingredients to targets

(2010) H. Ye et al.   NUCLEIC ACIDS RESEARCH

Natural products in modern life science

(2010) Lars Bohlin et al.   PHYTOCHEMISTRY REVIEWS

Development and Validation of a Quantitative, High-Throughput, Fluorescent-Based Bioassay to Detect Schistosoma Viability

(2010) Emily Peak et al.   PLoS Neglected Tropical Diseases

Comparison of Microscopy and Alamar Blue Reduction in a Larval Based Assay for Schistosome Drug Screening

(2010) Nuha R. Mansour et al.   PLoS Neglected Tropical Diseases

Schistosoma Genomics: New Perspectives on Schistosome Biology and Host-Parasite Interaction

(2009) Ze-Guang Han et al.   Annual Review of Genomics and Human Genetics

The Schistosoma japonicum genome reveals features of host–parasite interplay

(2009)   NATURE

The genome of the blood fluke Schistosoma mansoni

(2009) Matthew Berriman et al.   NATURE

Morphological effects and tegumental alterations induced by mefloquine on schistosomula and adult flukes of Schistosoma mansoni

(2009) T. MANNECK et al.   PARASITOLOGY

In vitro and in vivo trematode models for chemotherapeutic studies

(2009) J. KEISER   PARASITOLOGY

In vitro schistosomicidal effects of some phloroglucinol derivatives from Dryopteris species against Schistosoma mansoni adult worms

(2009) Lizandra G. Magalhães et al.   PARASITOLOGY RESEARCH

Artesunate plus sulfadoxine/pyrimethamine versus praziquantel in the treatment of Schistosoma mansoni in eastern Sudan

(2009) Ayoub A. Mohamed et al.   TRANSACTIONS OF THE ROYAL SOCIETY OF TROPICAL MEDICINE AND HYGIENE

Reduced Susceptibility to Praziquantel among Naturally Occurring Kenyan Isolates of Schistosoma mansoni

(2009) Sandra D. Melman et al.   PLoS Neglected Tropical Diseases

Interference with Hemozoin Formation Represents an Important Mechanism of Schistosomicidal Action of Antimalarial Quinoline Methanols

(2009) Juliana B. R. Corrêa Soares et al.   PLoS Neglected Tropical Diseases

Mefloquine—An Aminoalcohol with Promising Antischistosomal Properties in Mice

(2009) Jennifer Keiser et al.   PLoS Neglected Tropical Diseases

Drug Discovery for Schistosomiasis: Hit and Lead Compounds Identified in a Library of Known Drugs by Medium-Throughput Phenotypic Screening

(2009) Maha-Hamadien Abdulla et al.   PLoS Neglected Tropical Diseases

A 1,536-Well-Based Kinetic HTS Assay for Inhibitors of Schistosoma mansoni Thioredoxin Glutathione Reductase

(2008) Wendy A. Lea et al.   ASSAY AND DRUG DEVELOPMENT TECHNOLOGIES

Curcumin Inhibits the Proteasome Activity in Human Colon Cancer Cells In vitro and In vivo

(2008) V. Milacic et al.   CANCER RESEARCH

Natural products in drug discovery

(2008) A HARVEY   DRUG DISCOVERY TODAY

Modern Natural Products Chemistry and Drug Discovery

(2008) Iwao Ojima   JOURNAL OF MEDICINAL CHEMISTRY

Natural product isolation

(2008) Otto Sticher   NATURAL PRODUCT REPORTS

In vitro schistosomicidal activity of curcumin against Schistosoma mansoni adult worms

(2008) Lizandra G. Magalhães et al.   PARASITOLOGY RESEARCH