[PDF][PDF] Molecular docking studies on pyrazolopyrimidine and their derivatives as human phosphoinositide 3-kinase inhibitors

B Chaudhary, S Singh - Int J Adv Bioinfo Comp Biolo, 2012 - Citeseer
molecule taken from structural database (PDB). In-Silico drug designing approaches follow
for molecular docking studies … , we got 5 best derivatives of pyrazolopyrimidine with optimal …

New pyrazolopyrimidine derivatives with anticancer activity: Design, synthesis, PIM-1 inhibition, molecular docking study and molecular dynamics

JN Philoppes, MA Khedr, MHA Hassan, G Kamel… - Bioorganic …, 2020 - Elsevier
… In this study, new pyrazolopyrimidine derivatives were designed and evaluated for
anticancer activity. PIM-1 … Molecular docking study and molecular dynamics were also done. …

New fused pyrazolopyrimidine derivatives; heterocyclic styling, synthesis, molecular docking and anticancer evaluation

AY Hassan, NM Saleh, MS Kadh… - Journal of …, 2020 - Wiley Online Library
pyrazolopyrimidines as pyrazoloquinazoline and benzoimidazo pyrazolopyrimidine derivatives
… [ 29, 30 ] The anticancer evaluation and the molecular docking using COX-2 enzyme of …

3D-QSAR and molecular docking studies on pyrazolopyrimidine derivatives as glycogen synthase kinase-3β inhibitors

N Dessalew, DS Patel, PV Bharatam - … of Molecular Graphics and Modelling, 2007 - Elsevier
… -QSAR) studies on novel class of pyrazolopyrimidine derivatives as GSK-3 inhibitors reported
to have improved cellular activity. Docked conformation of the most active molecule in the …

[HTML][HTML] Synthesis of functionalized aminopyrazole and pyrazolopyrimidine derivatives: Molecular modeling and docking as anticancer agents

A Hossan, M Aljohani, AF Alrefaei, K Althumayri… - Arabian Journal of …, 2023 - Elsevier
… cytotoxic properties; the most potent derivative 7, had an IC … protein's crystal structure for
KDM5A was docked with the newly created aminopyrazole and pyrazolopyrimidine derivatives

[HTML][HTML] Synthesis, anticancer activity, and molecular docking of new pyrazolo [1, 5-a] pyrimidine derivatives

A Hossan, AF Alrefaei, HA Katouah, A Bayazeed… - Journal of Saudi …, 2023 - Elsevier
… was utilized for the production of new functionalized pyrazolopyrimidineMolecular docking
of the prepared pyrazolopyrimidines 4 and 6 with the crystal structure of the KDM5A protein, …

Comparative study between the anti-P. falciparum activity of triazolopyrimidine, pyrazolopyrimidine and quinoline derivatives and the identification of new PfDHODH …

FF Silveira, JO de Souza, LVB Hoelz… - European Journal of …, 2021 - Elsevier
Molecular docking studies indicated the binding mode of [1,2,4]triazolo[1,5-a]pyrimidine
derivatives to PfDHODH, and the highest interaction affinities for the PfDHODH enzyme were in …

… Synthesis of Fluorine‐Substituted Pyrazolopyrimidine Derivatives With Higher Antibacterial Efficacy Based on In Vitro Molecular Docking and Density Functional …

SA Khan, AM Asiri, RM Rahman… - Journal of …, 2017 - Wiley Online Library
… Bicyclic pyrazolopyrimidine derivatives dramatically increase the biological … studies, and
biological properties of pyrazolopyrimidine, the synthesis of some novel pyrazolopyrimidine is …

Novel pyrazolopyrimidine derivatives targeting COXs and iNOS enzymes; design, synthesis and biological evaluation as potential anti-inflammatory agents

AH Abdelazeem, SA Abdelatef, MT El-Saadi… - European Journal of …, 2014 - Elsevier
… Based on the aforementioned studies and the substantial … synthesis of novel pyrazolopyrimidine
derivatives as COXs and … pyrazolopyrimidine system to various piperazine derivatives or …

Synthesis, molecular docking, and in silico ADME prediction of some fused pyrazolo[1,5-a]pyrimidine and pyrazole derivatives as potential antimicrobial agents

AS Hassan, NM Morsy, HM Awad, A Ragab - Journal of the Iranian …, 2022 - Springer
… Finally, the molecular docking studies performed inside the … Furthermore, pyrazolopyrimidine
14d and the pyrazole Schiff … Both the pyrazolopyrimidine derivatives (14c and 14g–i) and …