Integrated molecular docking, 3D QSAR and molecular dynamics simulation studies on indole derivatives for designing new Pim-1 inhibitors

Peddi, Sudhir Reddy; Peddi, Saikiran Reddy; Sivan, Sree Kanth; Veerati, Radhika; Manga, Vijjulatha

doi:10.1080/10799893.2020.1713809

Journal of Receptors and Signal Transduction

2020

DOI: 10.1080/10799893.2020.1713809

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Integrated molecular docking, 3D QSAR and molecular dynamics simulation studies on indole derivatives for designing new Pim-1 inhibitors

Sudhir Reddy Peddi

Saikiran Reddy Peddi

Sree Kanth Sivan

et al.

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Cited by 4 publications

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Application of Compounds with Anti‐Cardiac Fibrosis Activity: A Review

Meng,

Cui,

et al. 2024

Chemistry & Biodiversity

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Coronary heart disease, hypertension, myocarditis, and valvular disease cause myocardial fibrosis, leading to heart enlargement, heart failure, heart rate failure, arrhythmia, and premature ventricular beat, even defibrillation can increase the risk of sudden death. Although cardiac fibrosis is common and widespread, there are still no effective drugs to provide adequate clinical intervention for cardiac fibrosis. In this review article, we classify the compounds for treating cardiac fibrosis into natural products, synthetic compounds, and patent drugs according to their sources. Additionally, the structures, activities and signaling pathways of these compounds are discussed. This review provides insight and could provide a reference for the design of new anti‐cardiac fibrosis compounds and the new use of older drugs.

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Application of Compounds with Anti‐Cardiac Fibrosis Activity: A Review

Meng,

Cui,

et al. 2024

Chemistry & Biodiversity

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In silico design of novel FAK inhibitors using integrated molecular docking, 3D-QSAR and molecular dynamics simulation studies

Shirvani

Fassihi

2021

Journal of Biomolecular Structure and Dynamics

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Molecular docking-based classification and systematic QSAR analysis of indoles as Pim kinase inhibitors

Kalaki

Asadollahi-Baboli

2020

SAR and QSAR in Environmental Research

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Integrated molecular docking, 3D QSAR and molecular dynamics simulation studies on indole derivatives for designing new Pim-1 inhibitors

Cited by 4 publications

References 24 publications

Application of Compounds with Anti‐Cardiac Fibrosis Activity: A Review

Application of Compounds with Anti‐Cardiac Fibrosis Activity: A Review

In silico design of novel FAK inhibitors using integrated molecular docking, 3D-QSAR and molecular dynamics simulation studies

Molecular docking-based classification and systematic QSAR analysis of indoles as Pim kinase inhibitors

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