Potential therapeutic targets and the role of technology in developing novel antileishmanial drugs

R Rajasekaran, YPP Chen - Drug discovery today, 2015 - Elsevier
Highlights•Anti-leishmanial drugs available today pose severe side effects and are not
affordable.•Identifying suitable drug target is essential for effective drug development.•Target …

Polyamine Metabolism in Leishmania Parasites: A Promising Therapeutic Target

NS Carter, Y Kawasaki, SS Nahata, S Elikaee… - Medical …, 2022 - mdpi.com
Parasites of the genus Leishmania cause a variety of devastating and often fatal diseases in
humans and domestic animals worldwide. The need for new therapeutic strategies is urgent …

Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against …

C Selvaraj, DC Dinesh, U Panwar… - Journal of …, 2021 - Taylor & Francis
The recent pandemic caused by Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-
CoV-2) calls the whole world into a medical emergency. For tackling Coronavirus Disease …

Atom-based 3D-QSAR, molecular docking, DFT, and simulation studies of acylhydrazone, hydrazine, and diazene derivatives as IN-LEDGF/p75 inhibitors

U Panwar, SK Singh - Structural Chemistry, 2021 - Springer
Since HIV-1 integrase makes use of host genome machinery to accomplish the replication
process, where LEDGF/p75 (a cellular cofactor) executes in the lentiviral integration process …

Virtual screening and biological activity evaluation of novel efflux pump inhibitors targeting AdeB

Y Tuo, Y Tang, R Yang, XM Zhao, M Luo, X Zhou… - International Journal of …, 2023 - Elsevier
The AdeABC efflux pump is an important mechanism causing multidrug resistance in
Acinetobacter baumannii, and its main component AdeB can recognize carbapenems …

In silico virtual screening of potent inhibitor to hamper the interaction between HIV-1 integrase and LEDGF/p75 interaction using E-pharmacophore modeling …

U Panwar, SK Singh - Computational Biology and Chemistry, 2021 - Elsevier
The rapid increase of HIV-1 infection throughout the globe has a high demand for a superior
drug with lesser side effects. LEDGF/p75, the human Lens Epithelium-Derived Growth …

Molecular-level strategic goals and repressors in Leishmaniasis–Integrated data to accelerate target-based heterocyclic scaffolds

M Abirami, BK Kumar, S Dey, S Johri… - European Journal of …, 2023 - Elsevier
Leishmaniasis is a complex of neglected tropical diseases caused by various species of
leishmanial parasites that primarily affect the world's poorest people. A limited number of …

Molecular targets and pathways for the treatment of visceral leishmaniasis

V Jain, K Jain - Drug discovery today, 2018 - Elsevier
Highlights•Visceral leishmaniasis is a complicated infectious disease.•Emerging resistance
is one of the main complications in treatment visceral leishmaniasis.•A comprehensive …

Identification of small molecule enzyme inhibitors as broad-spectrum anthelmintics

R Tyagi, MA Elfawal, SA Wildman, J Helander… - Scientific reports, 2019 - nature.com
Targeting chokepoint enzymes in metabolic pathways has led to new drugs for cancers,
autoimmune disorders and infectious diseases. This is also a cornerstone approach for …

Drug search for leishmaniasis: a virtual screening approach by grid computing

R Ochoa, SJ Watowich, A Flórez, CV Mesa… - Journal of computer …, 2016 - Springer
The trypanosomatid protozoa Leishmania is endemic in~ 100 countries, with infections
causing~ 2 million new cases of leishmaniasis annually. Disease symptoms can include …