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 …
Investigation of four Cd (ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties
X Wang, E Carrillo-Aravena, Y Wu, D Mei, S Wen… - …, 2023 - pubs.rsc.org
Four cadmium sulfonate complexes [Cd (L1) 2 (THU) 2] n (HL1= p-toluenesulfonic acid;
THU= thiourea)(1),[Cd (NO3)(L2)(4, 4′-bipy)(DMF)] n (HL2= 8-aminonaphthalene sulfonic …
THU= thiourea)(1),[Cd (NO3)(L2)(4, 4′-bipy)(DMF)] n (HL2= 8-aminonaphthalene sulfonic …
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 …
[HTML][HTML] Towards designing of some potential new autoimmune disorder inhibitors using crystal structures and Hirshfeld surface analyses in combination with …
The emergence of multi-drug-resistant autoimmune diseases poses a significant risk to
human health and has garnered global attention. In this study, metformin and sulfasalazine …
human health and has garnered global attention. In this study, metformin and sulfasalazine …
Antibiotic resistance challenge: evaluating anthraquinones as rifampicin monooxygenase inhibitors through integrated bioinformatics analysis
MR Arabestani, M Saadat, A Taherkhani - Genomics & Informatics, 2024 - Springer
Objective Antibiotic resistance poses a pressing and crucial global public health challenge,
leading to significant clinical and health-related consequences. Substantial evidence …
leading to significant clinical and health-related consequences. Substantial evidence …
Influence of paracetamol and remdesivir association on their anti-inflammatory/antiviral efficiency: A molecular docking approach
In recent studies, multiple drug interactions and their management for treating different
pathogens or viruses have become an interesting subject with increasing popularity. Within …
pathogens or viruses have become an interesting subject with increasing popularity. Within …
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 …
[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 …