Cheminformatics-based discovery of new organoselenium compounds with potential for the treatment of cutaneous and visceral leishmaniasis
Leishmaniasis affects more than 12 million humans globally and a further 1 billion people
are at risk in leishmaniasis endemic areas. The lack of a vaccine for leishmaniasis coupled …
are at risk in leishmaniasis endemic areas. The lack of a vaccine for leishmaniasis coupled …
An In Silico investigation for acyclovir and its derivatives to fight the COVID-19: Molecular docking, DFT calculations, ADME and td-Molecular dynamics simulations
MB Singh, P Jain, J Tomar, V Kumar, I Bahadur… - Journal of the Indian …, 2022 - Elsevier
In the present work, we have designed three molecules, acyclovir (A), ganciclovir (G) and
derivative of hydroxymethyl derivative of ganciclovir (CH 2 OH of G, that is D) and …
derivative of hydroxymethyl derivative of ganciclovir (CH 2 OH of G, that is D) and …
Theoretical activity prediction, structure-based design, molecular docking and pharmacokinetic studies of some maleimides against Leishmania donovani for the …
Background Leishmaniasis is a neglected tropical disease caused by a group of protozoan
of the genus Leishmani a and transmitted to humans majorly through the bite of the female …
of the genus Leishmani a and transmitted to humans majorly through the bite of the female …
A combined 2-D and 3-D QSAR modeling, molecular docking study, design, and pharmacokinetic profiling of some arylimidamide-azole hybrids as superior L …
Background Leishmaniasis is one of the neglected tropical diseases which is prevalent in
the tropical regions of the world most especially in Africa. It is caused by the Leishmania …
the tropical regions of the world most especially in Africa. It is caused by the Leishmania …
Theoretical modeling and design of some pyrazolopyrimidine derivatives as Wolbachia inhibitors, targeting lymphatic filariasis and onchocerciasis
Lymphatic filariasis and onchocerciasis are two common filarial diseases caused by a group
of parasitic nematodes called filarial worms, which play host to the bacteria organism …
of parasitic nematodes called filarial worms, which play host to the bacteria organism …
Computational evaluation of the inhibitory potential of some urea, thiourea, and selenourea derivatives of diselenides against leishmaniasis: 2D-QSAR …
Leishmaniasis affects more than twelve million people globally and a further one billion
people are at risk in leishmaniasis endemic areas. The lack of a vaccine for leishmaniasis …
people are at risk in leishmaniasis endemic areas. The lack of a vaccine for leishmaniasis …
[PDF][PDF] 3D-QSAR, molecular docking, molecular dynamics simulations and structural studies of some selected inhibitors of the glycoprotein (GPC) of Lassa virus
ABSTRACT 3D-QSAR, comparative molecular field analysis-smart region description (SRD)
and fractional factorial design (FFD)(CoMFA-FFD), and comparative molecular field analysis …
and fractional factorial design (FFD)(CoMFA-FFD), and comparative molecular field analysis …
[PDF][PDF] A 2-D QSAR modeling, molecular docking study and design of 2-Arylbenzimidazole derivatives as novel leishmanial inhibitors: a molecular dynamics study
Leishmaniasis is a tropical disease that infects approximately 12 million people living
majorly in tropical Africa, Southeast Asia and Latin America [1]. Visceral leishmaniasis (VL) …
majorly in tropical Africa, Southeast Asia and Latin America [1]. Visceral leishmaniasis (VL) …
[PDF][PDF] Combined QSAR modeling, molecular docking screening, and pharmacokinetics analyses for the design of novel 2, 6-diarylidene cyclohexanone analogs as …
FA Ugbe, GA Shallangwa… - Progress in Chemical …, 2023 - researchgate.net
Leishmaniasis, a neglected tropical disease is known to infect over 12 million people mainly
in tropical Africa, Southeast Asia, and Latin America [1]. Visceral leishmaniasis (VL) is the …
in tropical Africa, Southeast Asia, and Latin America [1]. Visceral leishmaniasis (VL) is the …
Molecular docking-based virtual screening, molecular dynamic simulation, and 3-D QSAR modeling of some pyrazolopyrimidine analogs as potent anti-filarial agents
Lymphatic filariasis and onchocerciasis are common filarial diseases caused by filarial
worms, which co-habit symbiotically with the Wolbachia organism. One good treatment …
worms, which co-habit symbiotically with the Wolbachia organism. One good treatment …