[HTML][HTML] Structure-based simulated scanning of rheumatoid arthritis inhibitors: 2D-QSAR, 3D-QSAR, docking, molecular dynamics simulation, and lipophilicity indices …
Rheumatoid arthritis (RA) is an autoimmune condition in the world, affecting about 1% of the
population. It is characterized by a cartilage attack unique to the tissue in the peripheral …
population. It is characterized by a cartilage attack unique to the tissue in the peripheral …
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 …
[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 …
Docking Simulations and Virtual Screening to find Novel Ligands for T3S in Yersinia pseudotuberculosis YPIII, A drug target for type III secretion (T3S) in the Gram …
In the Gram-negative pathogen Yersinia pseudotuberculosis and Chlamydia, the aggregate
use of molecular docking, molecular dynamic simulations, and ADMET was successfully …
use of molecular docking, molecular dynamic simulations, and ADMET was successfully …
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 …
[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 …
Molecular docking investigation, pharmacokinetic analysis, and molecular dynamic simulation of some benzoxaborole-benzimidazole hybrids: An approach to …
Onchocerciasis is one of the major neglected tropical diseases caused by the filarial worm
(Onchocerca volvulus), affecting an estimated population of about 37 million people living …
(Onchocerca volvulus), affecting an estimated population of about 37 million people living …
[PDF][PDF] A 2D-QSAR, homology modeling, docking, ADMET, and molecular dynamics simulations studies for assessment of a novel SARS-Cov-2 and Pseudomonas …
Pseudomonas aeruginosa and SARS-CoV-2 are two of the world's most hazardous
diseases. Treatments that target the enzyme or protein could be more successful and …
diseases. Treatments that target the enzyme or protein could be more successful and …
Quantification of PM2.5 Bound Polycyclic Aromatic Hydrocarbons (PAHs) and Modelling of Benzo[a]pyrene in the Ambient Air of Automobile Workshops in Benin City
The activities of artisans conducted regularly in automobile workshops have been observed
to generate pollutants that are not limited to particulate matter (PM) and polycyclic aromatic …
to generate pollutants that are not limited to particulate matter (PM) and polycyclic aromatic …
Approaches of Bioinformatics in Antibacterial Drug Development
S Dewangan, V Rawat - Natural Products for Antibacterial Drug …, 2024 - Springer
In the face of rising antibiotic resistance and a dwindling pipeline of novel antibacterial
agents, bioinformatics has emerged as a critical tool in the search for effective antibacterial …
agents, bioinformatics has emerged as a critical tool in the search for effective antibacterial …