In silico screening of glycogen synthase kinase-3β targeted ligands against acetylcholinesterase and its probable relevance to Alzheimer's disease
Alzheimer's disease (AD) is a growing global health concern that affects 10% of the
population aged above 65 years. A growing body of evidence indicates that multi-targeted …
population aged above 65 years. A growing body of evidence indicates that multi-targeted …
[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 …
Advancement in synthetic strategies of bisdimedones: Two decades study
Bisdimedones have emerged as an important and versatile moiety in the field of synthetic
and medicinal chemistry. It is screened as a precursor for the synthesis of several …
and medicinal chemistry. It is screened as a precursor for the synthesis of several …
Black yet green: A heterogenous carbon-based acid catalyst for the synthesis of biscyclic derivatives under eco-friendly conditions
In this study, a simple, cost-efficient and green protocol has been described for the synthesis
of biscoumarin and bisdimedone derivatives via one-pot Knoevenagel–Michael reaction of …
of biscoumarin and bisdimedone derivatives via one-pot Knoevenagel–Michael reaction of …
[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 …
Exploring the synthetic potential of a gC 3 N 4· SO 3 H ionic liquid catalyst for one-pot synthesis of 1, 1-dihomoarylmethane scaffolds via Knoevenagel–Michael …
A highly promising approach for the synthesis of functionalized 1, 1-dihomoarylmethane
scaffolds (bis-dimedones, bis-cyclohexanediones, bis-pyrazoles, and bis-coumarins) using …
scaffolds (bis-dimedones, bis-cyclohexanediones, bis-pyrazoles, and bis-coumarins) using …
The expediency of [BCMIM][Cl] ionic salt in the synthesis of tetraketones: Insights into their photophysical properties and theoretical calculations
A simple, efficient and straightforward method for the synthesis of 2, 2′-phenylmethylene-
bis (3‑hydroxy-5, 5-dimethyl-2-cyclohexene-1-one) derivatives has been developed …
bis (3‑hydroxy-5, 5-dimethyl-2-cyclohexene-1-one) derivatives has been developed …
[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 …
GC–MS analysis, pharmacokinetic properties, molecular docking and dynamics simulation of bioactives from Curcumis maderaspatanus to target oral cancer
Oral cancer (OC) which is the most predominant malignant epithelial neoplasm in the oral
cavity, is the 8th commonest type of cancer globally. Natural products are excellent sources …
cavity, is the 8th commonest type of cancer globally. Natural products are excellent sources …
[HTML][HTML] A 2D-QSAR, Homology Modeling, Docking, ADMET, and Molecular Dynamics Simulations Studies for Assessment of a Novel SARS-Cov-2 and Pseudomonas …
A 2D-QSAR, Homology Modeling, Docking, ADMET, and Molecular Dynamics Simulations
Studies for Assessment of a Novel SARS-Cov-2 and Pseudomonas Aeruginosa Inhibitors …
Studies for Assessment of a Novel SARS-Cov-2 and Pseudomonas Aeruginosa Inhibitors …