[HTML][HTML] Computer-aided drug design approaches applied to screen natural product's structural analogs targeting arginase in Leishmania spp

HL Barazorda-Ccahuana, LD Goyzueta-Mamani… - …, 2023 - ncbi.nlm.nih.gov
Introduction: Leishmaniasis is a disease with high mortality rates and approximately 1.5
million new cases each year. Despite the new approaches and advances to fight the …

In silico-based screening for natural product's structural analogs as new drugs candidate against leishmaniasis

HL Barazorda-Ccahuana, LD Goyzueta-Mamani… - bioRxiv, 2022 - biorxiv.org
Leishmaniasis is a disease with high mortality rates and approximately 1.5 million new
cases each year. Despite the new approaches and advances to fight the disease, there are …

Py-CoMFA, docking, and molecular dynamics simulations of Leishmania (L.) amazonensis arginase inhibitors

PG Camargo, CR Dos Santos, M Girão Albuquerque… - Scientific Reports, 2024 - nature.com
Leishmaniasis is a disease caused by a protozoan of the genus Leishmania, affecting
millions of people, mainly in tropical countries, due to poor social conditions and low …

Structure-based drug designing against Leishmania donovani using docking and molecular dynamics simulation studies: exploring glutathione synthetase as a drug …

M Sarma, S Borkotoky, VK Dubey - Journal of Biomolecular …, 2024 - Taylor & Francis
In the pursuit of developing novel anti-leishmanial agents, we conducted an extensive
computational study to screen inhibitors from the FDA-approved ZINC database against …

Identification of potential antileishmanial agents via structure-based molecular simulations

N Razzaghi-Asl, N Hashemi - Journal of Molecular Graphics and Modelling, 2022 - Elsevier
Leishmaniasis is a parasitic disease with frequent annual incidence. An important issue in
chemotherapy is the emergence of resistance, toxicity and lack of cost-effectiveness within …

Unveiling the Targets Involved in the Quest of Antileishmanial Leads Using In silico Methods

PK Boniface, CM Sano, FI Elizabeth - Current Drug Targets, 2020 - ingentaconnect.com
Background: Leishmaniasis is a neglected tropical disease associated with several clinical
manifestations, including cutaneous, mucocutaneous, and visceral forms. As currently …

Recent advances on computational approach towards potential drug discovery against leishmaniasis

T Joshi, P Sharma, T Joshi, S Mathpal… - … and prevention of …, 2021 - Elsevier
Leishmaniasis is a complex disease; it is classified under neglected diseases and it causes
significant health problems in many developing countries. Even though some drugs are …

Isolation, leishmanicidal evaluation and molecular docking simulations of piperidine alkaloids from Senna spectabilis

RBM Lacerda, TR Freitas, MM Martins… - Bioorganic & Medicinal …, 2018 - Elsevier
Leishmaniasis is one of the most important neglected tropical diseases (NTDs) that are
especially common among low-income populations in developing regions of Africa, Asia …

Molecular modeling and virtual screening approach to discover potential antileishmanial inhibitors against ornithine decarboxylase

R Kumar Pandey, P Prajapati, S Goyal… - … chemistry & high …, 2016 - ingentaconnect.com
Background: Visceral leishmaniasis (VL) is a tropical neglected disease, which encounters
poorest of poor people living in Asia, Africa and Latin America; causing the mortality of more …

Identification of Chalcone Derivatives as Inhibitors of Leishmania infantum Arginase and Promising Antileishmanial Agents

AR Garcia, DMP Oliveira, JB Jesus, AMT Souza… - Frontiers in …, 2021 - frontiersin.org
Arginase catalyzes the hydrolysis of l-arginine into l-ornithine and urea, acting as a key
enzyme in the biosynthesis of polyamines. Leishmania growth and survival is dependent on …