Activity modeling, molecular docking and pharmacokinetic studies of some boron-pleuromutilins as anti-wolbachia agents with potential for treatment of filarial …
Lymphatic filariasis and Onchocerciasis remain one of the oldest known Neglected Tropical
Diseases (NTD) caused by a group of parasitic filarial nematodes co-habiting with the …
Diseases (NTD) caused by a group of parasitic filarial nematodes co-habiting with the …
Methimazole and propylthiouracil design as a drug for anti-graves' disease: Structural studies, Hirshfeld surface analysis, DFT calculations, molecular docking …
Methimazole (MMI) and propylthiouracil (PTU), two commonly used anti-Graves' disease
drugs, were studied using density functional theory (DFT) with the B3LYP approach and 6 …
drugs, were studied using density functional theory (DFT) with the B3LYP approach and 6 …
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 …
[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 …
Identifying the toxic mechanisms of emerging electronic contaminations liquid crystal monomers and the construction of a priority control list for graded control
W He, H Yang, Y Li, Y Cui, L Wei, T Xu, Y Li… - Science of The Total …, 2024 - Elsevier
Liquid crystal monomers (LCMs) are identified as emerging organic contaminations with
largely unexplored health impacts. To elucidate their toxic mechanisms, support the …
largely unexplored health impacts. To elucidate their toxic mechanisms, support the …
2D-QSAR, Docking, Molecular Dynamics Simulations with the MM/GBSA Approaches against Graves' Disease and PTPN22
Graves' disease (GD) is an autoimmune condition that frequently causes hyperthyroidism
and thyrotoxicosis. Protein tyrosine phosphatase, non-receptor type 22 (lymphoid) isoform 1 …
and thyrotoxicosis. Protein tyrosine phosphatase, non-receptor type 22 (lymphoid) isoform 1 …
In silico screening of Fyn kinase inhibitors using classification-based QSAR model, molecular docking, molecular dynamics and ADME study
NT Hang, TDH Anh, LN Thanh, NV Anh… - Molecular Diversity, 2024 - Springer
This study aimed to use a computational approach that combined the classification-based
QSAR model, molecular docking, ADME studies, and molecular dynamics (MD) to identify …
QSAR model, molecular docking, ADME studies, and molecular dynamics (MD) to identify …