Synthesis, biological activity, and molecular dynamic studies of new triazolopyrimidine derivatives

被引：5

作者：

Ragab, Sherif S. ^{[1
]}

Ibrahim, Noha E. ^{[2
]}

Abdel-Aziz, Mohamed S. ^{[3
]}

Elrashedy, Ahmed A. ^{[4
]}

Allayeh, Abdou K. ^{[5
]}

机构：

[1] Natl Res Ctr NRC, Chem Ind Res Inst, Photochem Dept, 33 El Behouth St,PO 12622, Giza, Egypt

[2] Natl Res Ctr NRC, Biotechnol Res Inst, Microbial Biotechnol Dept, 33 El Behouth St,PO 12622, Dokki, Egypt

[3] Natl Res Ctr NRC, Biotechnol Res Inst, Microbial Chem Dept, 33 El Behouth St,PO 12622, Giza, Egypt

[4] Natl Res Ctr NRC, Pharmaceut & Drug Ind Inst, Dept Chem Nat & Microbial Prod, 33 El Behouth St,PO 12622, Giza, Egypt

[5] Natl Res Ctr NRC, Environm & Climate Change Inst, Water Pollut Res Dept, Environm Parasitol Lab 176, 33 El Behouth St,PO 12622, Giza, Egypt

来源：

RESULTS IN CHEMISTRY | 2023年 / 6卷

关键词：

Triazolopyrimidine; Antibacterial; Anti-coronaviruses; Anti-herpes; Molecular dynamics; DESIGN;

D O I：

10.1016/j.rechem.2023.101163

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

New series of triazolopyrimidine derivatives were designed, synthesized and fully characterized by spectroscopic tools. The new compounds were investigated as antimicrobial agents against two bacterial and two fungal strains. The antimicrobial results revealed that the triazolopyrimidine derivative 3b exhibited excellent antibacterial and antifungal activity higher than the standard drug (Neomycin). Additionally, we studied the antiviral activity of the three compounds against two different viruses (Corona Virus 229E, and herpes). The fluoro triazolopyrimidine derivatives 3a,b showed significant antiviral activity against low pathogenic Corona virus (229E) with selective index of 25.87 and 18.15 respectively. The same compounds showed good antiviral activity against human herpes type 2 with selective index of 17.7 and 11. The molecular dynamics simulation (MD) studies were also implemented to assign the interaction as well as the stability of the protein-ligand complex in motion.

引用

页数：13

共 42 条

[1] Reactions with hydrazonoyl halides 45:: Synthesis of some new triazolino[4,3-a]pyrimidines, pyrazolo[3,4-d]pyridazines, isoxazolo[3,4-d]pyridazines, and thieno[2,3-b]pyridines [J].

Abdelhamid, AO ;

Al-Atoom, AA .

SYNTHETIC COMMUNICATIONS, 2006, 36 (01) :97-110

[2] Nanoformulation Composed of Ellagic Acid and Functionalized Zinc Oxide Nanoparticles Inactivates DNA and RNA Viruses [J].

AbouAitah, Khaled ;

Allayh, Abdou K. ;

Wojnarowicz, Jacek ;

Shaker, Yasser M. ;

Swiderska-Sroda, Anna ;

Lojkowski, Witold .

PHARMACEUTICS, 2021, 13 (12)

[3]

[Anonymous], 2014, Antimicrobial Resistance: Tackling a crisis forthe health and wealth of nations, DOI DOI 10.1088/2053-1591/1/4/046305

[4]

COCCO MT, 1985, FARMACO-ED SCI, V40, P272

[5] Fifty Years in Search of Selective Antiviral Drugs [J].

De Clercq, Erik .

JOURNAL OF MEDICINAL CHEMISTRY, 2019, 62 (16) :7322-7339

[6] Antivirals: Past, present and future [J].

De Clercq, Erik .

BIOCHEMICAL PHARMACOLOGY, 2013, 85 (06) :727-744

[7]

Eweas A.F., 2014, J. App. Pharm. Sci., V4, P102, DOI DOI 10.7324/JAPS.2014.41218

[8] Replication stress and cancer [J].

Gaillard, Helene ;

Garcia-Muse, Tatiana ;

Aguilera, Andres .

NATURE REVIEWS CANCER, 2015, 15 (05) :276-289

[9] Treatment efficacy, treatment failures and selection of macrolide resistance in patients with high load of Mycoplasma genitalium during treatment of male urethritis with josamycin [J].

Guschin, Alexander ;

Ryzhikh, Pavel ;

Rumyantseva, Tatiana ;

Gomberg, Mikhail ;

Unemo, Magnus .

BMC INFECTIOUS DISEASES, 2015, 15

[10]

Halford B, 2014, CHEM ENG NEWS, V92, P26

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