Synthesis, In Silico Study, Antibacterial and Antifungal Activities of N-phenylbenzamides

被引：8

作者：

Sulistyowaty, Melanny Ika ^{[1
]}

Putra, Galih Satrio ^{[2
]}

Budiati, Tutuk ^{[3
]}

Indrianingsih, Anastasia Wheni ^{[4
]}

Anwari, Farida ^{[5
]}

Kesuma, Dini ^{[6
]}

Matsunami, Katsuyoshi ^{[7
]}

Yamauchi, Takayasu ^{[8
]}

机构：

[1] Univ Airlangga, Fac Pharm, Dept Pharmaceut Sci, Surabaya 60115, Indonesia

[2] Univ Negeri Malang, Fac Math & Nat Sci, Dept Chem, Malang 65151, Indonesia

[3] Widya Mandala Catholic Univ, Fac Pharm, Surabaya 60265, Indonesia

[4] Natl Res & Innovat Agcy BRIN, Res Ctr Food Technol & Proc, Yogyakarta 55861, Indonesia

[5] Univ Anwar Med, Med Lab Sci, Sidoarjo 61262, Indonesia

[6] Univ Surabaya, Fac Pharm, Dept Pharmaceut Chem, Surabaya 60293, Indonesia

[7] Hiroshima Univ, Grad Sch Biomed & Hlth Sci, 1-2-3 Kasumi, Minami Ku, Hiroshima 7348553, Japan

[8] Hoshi Univ, Fac Pharmaceut Sci, 2-4-41, Ebara, Shinagawa, Tokyo 1428501, Japan

来源：

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES | 2023年 / 24卷 / 03期

基金：

英国科研创新办公室;

关键词：

synthesis; in silico; antibacterial; antifungal; N-phenylbenzamides derivatives; 3HAV; 2QZX; CANDIDA-ALBICANS; PROTEINASES; VIRULENCE;

D O I：

10.3390/ijms24032745

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Antibiotic and antifungal resistance problems have been prevalent in recent decades. One of the efforts to solve the problems is to develop new medicines with more potent antibacterial and antifungal activity. N-phenylbenzamides have the potential to be developed as antibacterial and antifungal medicine. This study aimed to synthesize N-phenylbenzamides and evaluate their in silico and in vitro antibacterial and antifungal activities. The in silico studies conducted absorption, distribution, metabolism, excretion and toxicity (ADMET) predictions along with molecular docking studies. ADMET predictions used pkCSM software online, while the docking studies used MVD software (Molegro((R)) Virtual Docker version 5.5) on Aminoglycosid-2 ''-phosphotransferase-IIa (APH2 ''-IIa) enzyme with protein data bank (PDB) ID code 3HAV as antibacterial and aspartic proteinases enzyme (Saps) with PDB ID code 2QZX as an antifungal. In vitro, antibacterial and antifungal tests were carried out using the zone of inhibition (ZOI) method. The five N-phenylbenzamides (3a-e) were successfully synthesized with a high yield. Based on in silico and in vitro studies, compounds 3a-e have antibacterial and antifungal activities, where they can inhibit the growth of Gram-positive bacteria (Staphylococcus aureus), Gram-negative (Escherichia coli), and Candida albicans. Therefore, compounds 3a-e can be developed as a topical antibacterial and antifungal agent.

引用

页数：17

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