In silico screening of glycogen synthase kinase-3β targeted ligands against acetylcholinesterase and its probable relevance to Alzheimer's disease

NR Jabir, S Shakil, S Tabrez, MS Khan… - Journal of …, 2021 - Taylor & Francis
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 …

[HTML][HTML] Structure-based simulated scanning of rheumatoid arthritis inhibitors: 2D-QSAR, 3D-QSAR, docking, molecular dynamics simulation, and lipophilicity indices …

EI Edache, A Uzairu, PA Mamza, GA Shallangwa - Scientific African, 2022 - Elsevier
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 …

Advancement in synthetic strategies of bisdimedones: Two decades study

P Teli, N Sahiba, A Sethiya, J Soni… - Journal of Heterocyclic …, 2021 - Wiley Online Library
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 …

Black yet green: A heterogenous carbon-based acid catalyst for the synthesis of biscyclic derivatives under eco-friendly conditions

P Teli, A Sethiya, S Agarwal - Research on Chemical Intermediates, 2022 - Springer
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 …

[PDF][PDF] 3D-QSAR, molecular docking, molecular dynamics simulations and structural studies of some selected inhibitors of the glycoprotein (GPC) of Lassa virus

EI Edache, HA Dawi, FA Ugbe - J Appl Organomet Chem, 2023 - sid.ir
ABSTRACT 3D-QSAR, comparative molecular field analysis-smart region description (SRD)
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 …

S Soni, P Teli, N Sahiba, S Teli, S Agarwal - RSC advances, 2023 - pubs.rsc.org
A highly promising approach for the synthesis of functionalized 1, 1-dihomoarylmethane
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

V Kali, B Maiti - Journal of Molecular Structure, 2024 - Elsevier
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 …

[PDF][PDF] A 2D-QSAR, homology modeling, docking, ADMET, and molecular dynamics simulations studies for assessment of a novel SARS-Cov-2 and Pseudomonas …

EI Edache, A Uzairu, PA Mamza… - J Virol Viral Dis, 2022 - researchgate.net
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 …

GC–MS analysis, pharmacokinetic properties, molecular docking and dynamics simulation of bioactives from Curcumis maderaspatanus to target oral cancer

RS Rao, D Saravanan, M Mohan - In Silico Pharmacology, 2024 - Springer
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 …

[HTML][HTML] A 2D-QSAR, Homology Modeling, Docking, ADMET, and Molecular Dynamics Simulations Studies for Assessment of a Novel SARS-Cov-2 and Pseudomonas …

EI Edache, A Uzairu, PA Mamza, GA Shallangwa - 2022 - acquirepublications.org
A 2D-QSAR, Homology Modeling, Docking, ADMET, and Molecular Dynamics Simulations
Studies for Assessment of a Novel SARS-Cov-2 and Pseudomonas Aeruginosa Inhibitors …