Developing imidazole analogues as potential inhibitor forLeishmania donovanitrypanothione reductase: virtual screening, molecular docking, dynamics and ADMET approach
Published 2015 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Developing imidazole analogues as potential inhibitor forLeishmania donovanitrypanothione reductase: virtual screening, molecular docking, dynamics and ADMET approach
Authors
Keywords
-
Journal
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
Volume 33, Issue 12, Pages 2541-2553
Publisher
Informa UK Limited
Online
2015-08-26
DOI
10.1080/07391102.2015.1085904
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Dibenzosuberyl substituted polyamines and analogs of clomipramine as effective inhibitors of trypanothione reductase; molecular docking, and assessment of trypanocidal activities
- (2015) Mary C. O’Sullivan et al. BIOORGANIC & MEDICINAL CHEMISTRY
- Arsenic Exposure and Outcomes of Antimonial Treatment in Visceral Leishmaniasis Patients in Bihar, India: A Retrospective Cohort Study
- (2015) Meghan R. Perry et al. PLoS Neglected Tropical Diseases
- Molecular Mechanisms of In vitro Betulin-Induced Apoptosis of Leishmania donovani
- (2014) Prakash Saudagar et al. AMERICAN JOURNAL OF TROPICAL MEDICINE AND HYGIENE
- Investigational drugs for visceral leishmaniasis
- (2014) Shyam Sundar et al. EXPERT OPINION ON INVESTIGATIONAL DRUGS
- Treatment options for second-stage gambiense human African trypanosomiasis
- (2014) Gilles Eperon et al. Expert Review of Anti-Infective Therapy
- Nitroimidazo-oxazole compound DNDI-VL-2098: an orally effective preclinical drug candidate for the treatment of visceral leishmaniasis
- (2014) Suman Gupta et al. JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY
- Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology To Improve in Silico pKa Prediction
- (2014) Robert Fraczkiewicz et al. Journal of Chemical Information and Modeling
- Randomized Trial of Posaconazole and Benznidazole for Chronic Chagas' Disease
- (2014) Israel Molina et al. NEW ENGLAND JOURNAL OF MEDICINE
- In vitro Susceptibility of Leishmania donovani to Miltefosine in Indian Visceral Leishmaniasis
- (2013) Vijay Kumar Prajapati et al. AMERICAN JOURNAL OF TROPICAL MEDICINE AND HYGIENE
- Increasing Failure of Miltefosine in the Treatment of Kala-azar in Nepal and the Potential Role of Parasite Drug Resistance, Reinfection, or Noncompliance
- (2013) Suman Rijal et al. CLINICAL INFECTIOUS DISEASES
- Molecular mechanism underlying antileishmanial effect of oxabicyclo[3.3.1]nonanones: Inhibition of key redox enzymes of the pathogen
- (2013) Prakash Saudagar et al. EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS
- Evaluation of a diospyrin derivative as antileishmanial agent and potential modulator of ornithine decarboxylase of Leishmania donovani
- (2013) Sudipta Hazra et al. EXPERIMENTAL PARASITOLOGY
- Structure prediction of gBP21 protein ofL. donovaniand its molecular interaction
- (2013) Ganesh Chandra Sahoo et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Docking and in silico ADMET studies of noraristeromycin, curcumin and its derivatives with Plasmodium falciparum SAH hydrolase: A molecular drug target against malaria
- (2013) Dev Bukhsh Singh et al. Interdisciplinary Sciences-Computational Life Sciences
- In vitro Antileishmanial Drug Susceptibility of Clinical Isolates from Patients with Indian Visceral Leishmaniasis—Status of Newly Introduced Drugs
- (2012) Vijay Kumar Prajapati et al. AMERICAN JOURNAL OF TROPICAL MEDICINE AND HYGIENE
- Assessing the Essentiality of Leishmania donovani Nitroreductase and Its Role in Nitro Drug Activation
- (2012) S. Wyllie et al. ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
- Management of trypanosomiasis and leishmaniasis
- (2012) M. P. Barrett et al. BRITISH MEDICAL BULLETIN
- Efficacy of Miltefosine in the Treatment of Visceral Leishmaniasis in India After a Decade of Use
- (2012) S. Sundar et al. CLINICAL INFECTIOUS DISEASES
- Mechanistic insights into the dual inhibition strategy for checking Leishmaniasis
- (2012) Abhinav Grover et al. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
- Leishmaniasis Worldwide and Global Estimates of Its Incidence
- (2012) Jorge Alvar et al. PLoS One
- The Anti-Trypanosome Drug Fexinidazole Shows Potential for Treating Visceral Leishmaniasis
- (2012) S. Wyllie et al. Science Translational Medicine
- Molecular Docking and in Vitro Antileishmanial Evaluation of Chromene-2-thione Analogues
- (2012) Rajiv Kumar Verma et al. ACS Medicinal Chemistry Letters
- Targeted killing of Leishmania donovani in vivo and in vitro with amphotericin B attached to functionalized carbon nanotubes
- (2011) V. K. Prajapati et al. JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY
- Evaluation of plumbagin and its derivative as potential modulators of redox thiol metabolism of Leishmania parasite
- (2011) Neha Sharma et al. PARASITOLOGY RESEARCH
- Visceral Leishmaniasis and Arsenic: An Ancient Poison Contributing to Antimonial Treatment Failure in the Indian Subcontinent?
- (2011) Meghan R. Perry et al. PLoS Neglected Tropical Diseases
- Molecular docking studies of selected tricyclic and quinone derivatives on trypanothione reductase ofLeishmania infantum
- (2010) Santhosh Kannan Venkatesan et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Ligand docking and binding site analysis with PyMOL and Autodock/Vina
- (2010) Daniel Seeliger et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Efficient Drug Lead Discovery and Optimization
- (2009) William L. Jorgensen ACCOUNTS OF CHEMICAL RESEARCH
- Improved Tricyclic Inhibitors of Trypanothione Reductase by Screening and Chemical Synthesis
- (2009) John L. Richardson et al. ChemMedChem
- The poorest of the poor: a poverty appraisal of households affected by visceral leishmaniasis in Bihar, India
- (2009) M. Boelaert et al. TROPICAL MEDICINE & INTERNATIONAL HEALTH
- The use of natural product scaffolds as leads in the search for trypanothione reductase inhibitors
- (2008) Betty C. Galarreta et al. BIOORGANIC & MEDICINAL CHEMISTRY
- Benchmarking the Reliability of QikProp. Correlation between Experimental and Predicted Values
- (2007) Leukothea Ioakimidis et al. Quantitative structure-activity relationships & combinatorial science
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now