Synthesis, XRD, HAS, in silico molecular docking studies and biological assessment of novel Schiff base compounds as anti-cancer and antimicrobial agents

被引：5

作者：

Said, Musa A. ^{[1
]}

Al-Harbi, Wael S. ^{[1
]}

Shanmugam, Mani ^{[1
,2
]}

Aljohani, Faizah S. ^{[1
]}

Bouqellah, Nahla A. ^{[1
]}

Al-Kaff, Nadia S. ^{[1
]}

机构：

[1] Taibah Univ, Coll Sci, Madinah, Saudi Arabia

[2] IAE, Dept Sci & Humanities, Hyderabad, India

来源：

JOURNAL OF TAIBAH UNIVERSITY FOR SCIENCE | 2020年 / 14卷 / 01期

关键词：

Schiff bases (SB); crystal structure; docking studies; anti-cancer; antimicrobial activity; Enol-imine tautomeric form; Hirshfeld surface analysis; cytotoxicity; CRYSTAL-STRUCTURES; DESIGN; VITRO; CYTOTOXICITY; ANTIOXIDANT; DERIVATIVES; POTENCY; ACID; VIVO; DNA;

D O I：

10.1080/16583655.2020.1849492

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

In this study, versatile multifunctional Schiff base (SB) derivatives were synthesized. Compounds 1-8 were prepared by a mild condition and were pharmacologically assessed for their role in vitro anti-cancer and their impact on human fibrosarcoma (HT-1080) and cervical cancer cells (HeLa), in addition to their antimicrobial activity regarding fungal strains, gram-positive and gram-negative bacteria. Preliminary in silico study of 1-8 and the standard compound (5-Fluorouracil) was accomplished, using Drug2Way and PASS software. Besides, docking investigations were carried out using Schrodinger software to determine the interaction of p53-MDM2 and pf-DHFR binding affinity for all the compounds. The antimicrobial results exhibited that these novel compounds have modest to good inhibitory action against the tried bacterial and fungal strains. The crystal structures of 2 and 7 have been determined. Hirshfeld Surface Analysis (HSA) is in agreement with the XRD studies. Both compounds have shown enol-imine tautomeric forms as EE isomer.

引用

页码：1590 / 1603

页数：14

共 54 条

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