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 …
Combining docking, molecular dynamics simulations, AD-MET pharmacokinetics properties, and MMGBSA calculations to create specialized protocols for running …
The development of novel medicines to treat autoimmune diseases and SARS-CoV-2 main
protease (Mpro), a virus that can cause both acute and chronic illnesses, is an ongoing …
protease (Mpro), a virus that can cause both acute and chronic illnesses, is an ongoing …
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] 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 …
[PDF][PDF] Theoretical studies of 2-[(E)-(3-phenylmethoxyphenyl) methylideneamino] guanidine as promising drugs against SARS-coronavirus spike glycoproteins by …
Iminoguanidine is an important synthetic class in drug design because of its wide range of
pharmacological activity, which includes antibacterial [1, 2], antiviral [3], the capacity to …
pharmacological activity, which includes antibacterial [1, 2], antiviral [3], the capacity to …
DFT studies on structure, electronics, bonding nature, NBO analysis, thermodynamic properties, molecular docking, and MM-GBSA evaluation of 4-methyl-3-[2-(4 …
A calculation analysis on the molecular structure and energy of 4-methyl-3-[2-(4-nitrophenyl)-
1, 3-dioxo-2, 3-dihydro-1 H-isoindole-5-amido] benzoic acid (COD30) is carried out with the …
1, 3-dioxo-2, 3-dihydro-1 H-isoindole-5-amido] benzoic acid (COD30) is carried out with the …
In-Silico Design and Evaluation of the Anti-Wolbachia Potential of Boron-Pleuromutilins
Abstract Filariasis (Lymphatic filariasis and Onchocerciasis) is a common neglected tropical
disease caused by parasitic nematodes called filarial worms, which often host the …
disease caused by parasitic nematodes called filarial worms, which often host the …
[PDF][PDF] Computer-Aided Drug Design and Molecular Dynamic Simulations of Inhibitors of Some Autoimmune Disorder Therapeutic Targets
Any disease's etiology and molecular mechanism must be well understood to design an
effective treatment plan. A broad category of illnesses known as autoimmune disorders is …
effective treatment plan. A broad category of illnesses known as autoimmune disorders is …
[HTML][HTML] Design of some potent non-toxic autoimmune disorder inhibitors based on 2D-QSAR, CoMFA, molecular docking, and molecular dynamics investigations
Current clinical research suggests that inhibitors of protein arginine deiminase 4 (PAD4),
major histocompatibility complex (MHC) class II HLA-DQ-ALPHA chain, and thyrotropin …
major histocompatibility complex (MHC) class II HLA-DQ-ALPHA chain, and thyrotropin …
[HTML][HTML] Evaluation of novel Anti-SARS-CoV-2 compounds by targeting nucleoprotein and envelope protein through homology modeling, docking simulations, ADMET …
The current prominent virus that induces severe acute respiratory syndrome is SARS-CoV-2.
The incidence of COVID-19 cases is increasing, necessitating the immediate development …
The incidence of COVID-19 cases is increasing, necessitating the immediate development …