3,5-二苯基-4,5-二氢-1H-吡唑查耳酮的合成、结构阐明、SC-XRD/DFT、分子建模模拟和 DNA 结合研究

Journal of Biomolecular Structure and Dynamics Pub Date : 2023-12-12 DOI:10.1080/07391102.2023.2293260

Ghulam Mustafa, Sabreena Sabir, Sajjad Hussain Sumrra, Wardha Zafar, Muhammad Nadeem Arshad, Abrar Ul Hassan, Arusa Akhtar, Muhammad Ashfaq, Maryam Ashfaq, Abdullah Mohamed Asiri

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摘要

脱氧核糖核酸（DNA）是各种药物最重要的细胞内靶点。探索生物活性小分子与 DNA 的结合相互作用，可为 ...

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Synthesis, structure elucidation, SC-XRD/DFT, molecular modelling simulations and DNA binding studies of 3,5-diphenyl-4,5-dihydro-1H-pyrazole chalcones

Deoxyribonucleic acid (DNA) acts as the most important intracellular target for various drugs. Exploring the DNA binding interactions of small bioactive molecules offers a structural guideline for ...

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Journal of Biomolecular Structure and Dynamics

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