Substituent effects on the stability, physicochemical properties and chemical reactivity of nitroimidazole derivatives with potential antiparasitic effect: a computational study

2019 ◽  
Vol 43 (28) ◽  
pp. 11125-11134 ◽  
Author(s):  
Linda Campos-Fernández ◽  
Carolina Barrientos-Salcedo ◽  
Edtson E. Herrera Valencia ◽  
Rocío Ortiz-Muñiz ◽  
Catalina Soriano-Correa
Keyword(s):  
Drug Discovery ◽  
Physicochemical Properties ◽  
Neglected Tropical Diseases ◽  
Computational Study ◽  
Chemical Reactivity ◽  
Substituent Effects ◽  
Research Interest ◽  
Tropical Diseases ◽  
The Stability ◽  
Parasitic Pathogens

Neglected tropical diseases caused by parasitic pathogens have caused an increase in research interest in drug discovery.

scholarly journals Editorial: Cheminformatics Approaches in Drug Discovery for Neglected Tropical Diseases

2021 ◽  
Vol 9 ◽  
Author(s):  
Luciana Scotti ◽  
Eugene Muratov ◽  
Alejandro Speck-Planche ◽  
Marcus T. Scotti
Keyword(s):  
Drug Discovery ◽  
Neglected Tropical Diseases ◽  
Tropical Diseases

scholarly journals WIPO Re:Search: Catalyzing Public-Private Partnerships to Accelerate Tropical Disease Drug Discovery and Development

2019 ◽  
Vol 4 (1) ◽  
pp. 53 ◽  
Author(s):  
Cathyryne Manner ◽  
Katy Graef ◽  
Jennifer Dent
Keyword(s):  
Drug Discovery ◽  
Intellectual Property ◽  
Neglected Tropical Diseases ◽  
Tropical Disease ◽  
New Drugs ◽  
World Intellectual Property Organization ◽  
Tropical Diseases ◽  
Middle Income ◽  
Drug Discovery And Development ◽  
Partnership Model

Tropical diseases, including malaria and a group of infections termed neglected tropical diseases (NTDs), pose enormous threats to human health and wellbeing globally. In concert with efforts to broaden access to current treatments, it is also critical to expand research and development (R&D) of new drugs that address therapeutic gaps and concerns associated with existing medications, including emergence of resistance. Limited commercial incentives, particularly compared to products for diseases prevalent in high-income countries, have hindered many pharmaceutical companies from contributing their immense product development know-how and resources to tropical disease R&D. In this article we present WIPO Re:Search, an international initiative co-led by BIO Ventures for Global Health (BVGH) and the World Intellectual Property Organization (WIPO), as an innovative and impactful public-private partnership model that promotes cross-sector intellectual property sharing and R&D to accelerate tropical disease drug discovery and development. Importantly, WIPO Re:Search also drives progress toward the United Nations Sustainable Development Goals (SDGs). Through case studies, we illustrate how WIPO Re:Search empowers high-quality tropical disease drug discovery researchers from academic/non-profit organizations and small companies (including scientists in low- and middle-income countries) to leapfrog their R&D programs by accessing pharmaceutical industry resources that may not otherwise be available to them.

Computational study of substituent effects on the acidity, toxicity and chemical reactivity of bacteriostatic sulfonamides

2018 ◽  
Vol 81 ◽  
pp. 116-124 ◽  
Author(s):  
Catalina Soriano-Correa ◽  
Carolina Barrientos-Salcedo ◽  
Misaela Francisco-Márquez ◽  
C. Ignacio Sainz-Díaz
Keyword(s):  
Computational Study ◽  
Chemical Reactivity ◽  
Substituent Effects

scholarly journals High-Throughput Screening Platform for Natural Product–Based Drug Discovery Against 3 Neglected Tropical Diseases

2014 ◽  
Vol 20 (1) ◽  
pp. 82-91 ◽  
Author(s):  
F. Annang ◽  
G. Pérez-Moreno ◽  
R. García-Hernández ◽  
C. Cordon-Obras ◽  
J. Martín ◽  
...  
Keyword(s):  
Natural Products ◽  
Drug Discovery ◽  
Natural Product ◽  
High Throughput ◽  
High Throughput Screening ◽  
Neglected Tropical Diseases ◽  
Chemical Diversity ◽  
Tropical Diseases ◽  
Isolation And Characterization ◽  
Microbial Extracts

African trypanosomiasis, leishmaniasis, and Chagas disease are 3 neglected tropical diseases for which current therapeutic interventions are inadequate or toxic. There is an urgent need to find new lead compounds against these diseases. Most drug discovery strategies rely on high-throughput screening (HTS) of synthetic chemical libraries using phenotypic and target-based approaches. Combinatorial chemistry libraries contain hundreds of thousands of compounds; however, they lack the structural diversity required to find entirely novel chemotypes. Natural products, in contrast, are a highly underexplored pool of unique chemical diversity that can serve as excellent templates for the synthesis of novel, biologically active molecules. We report here a validated HTS platform for the screening of microbial extracts against the 3 diseases. We have used this platform in a pilot project to screen a subset (5976) of microbial extracts from the MEDINA Natural Products library. Tandem liquid chromatography–mass spectrometry showed that 48 extracts contain potentially new compounds that are currently undergoing de-replication for future isolation and characterization. Known active components included actinomycin D, bafilomycin B1, chromomycin A3, echinomycin, hygrolidin, and nonactins, among others. The report here is, to our knowledge, the first HTS of microbial natural product extracts against the above-mentioned kinetoplastid parasites.

Two diseases, one approach: multitarget drug discovery in Alzheimer's and neglected tropical diseases

MedChemComm ◽  
2014 ◽  
Vol 5 (7) ◽  
pp. 853-861 ◽  
Author(s):  
F. Prati ◽  
E. Uliassi ◽  
M. L. Bolognesi
Keyword(s):  
Drug Discovery ◽  
Therapeutic Approach ◽  
Neglected Tropical Diseases ◽  
Tropical Diseases ◽  
Promising Therapeutic Approach

Multitarget drug discovery may represent a promising therapeutic approach to treat Alzheimer's and neglected tropical diseases.

Quinoline-based Compounds as Key Candidates to Tackle Drug Discovery Programs of Microbicidal Agents

2020 ◽  
Vol 26 ◽  
Author(s):  
Aline Nefertiti Silva da Gama ◽  
Maria de Nazaré Correia Soeiro
Keyword(s):  
Drug Discovery ◽  
Trypanosoma Brucei ◽  
Anticancer Agents ◽  
Biological Effect ◽  
Heterocyclic Compounds ◽  
Neglected Tropical Diseases ◽  
Pharmacological Properties ◽  
Tropical Diseases ◽  
Clinical Use ◽  
Leishmania Spp

: Quinolines are nitrogen heterocyclic compounds ubiquitous in nature and largely used as a structural component of dyes, solvent for resins, terpenes as well as during the production of several other chemical stuffs, including pesticides. Quinolines, such as quinine and chloroquine, exhibit various pharmacological properties, acting as antimalarial drugs, antiparasitic, antibacterial, antiviral, antifungal, and anticancer agents, besides being in clinical use for autoimmune diseases. Presently, a brief review is present regarding the biological effect and clinical use of quinolines and derivatives upon two trypanosomatids agents of important neglected tropical diseases; Trypanosoma cruzi, Trypanosoma brucei spp and Leishmania spp, which trigger Chagas disease, sleeping sickness and leishmaniasis, respectively, also extending to a glance update of their potential application towards other microbes relevant for emerging illness caused by fungi, bacteria and virus, including the pandemic Covid-19.

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