In Vitro Antibacterial and Antifungal Activity and Computational Evaluation of Novel Indole Derivatives Containing 4-Substituted Piperazine Moieties

Altuntas, T. Gul; Yılmaz, Nilüfer; Ece, Abdulilah; Altanlar, Nurten; Ölgen, Süreyya

doi:10.2174/1570180815666180109161948

Cited by 7 publications

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“…Indole is an important nitrogen-containing heterocyclic compound. Indole and indole derivatives have a broad spectrum of biological activities such as antifungal [ 20 , 21 , 22 , 23 , 24 , 25 , 26 ], antibacterial [ 27 , 28 , 29 ], antimycobacterial [ 30 ], antitubercular [ 31 , 32 , 33 ], antioxidant [ 34 ], antimalarial [ 35 , 36 , 37 ], antiviral [ 38 , 39 , 40 , 41 ], anti-leishmanial [ 42 , 43 ], anti-inflammatory [ 44 ], and anti-tumor [ 45 , 46 , 47 ] activities. The design and synthesis of new indole derivatives with excellent biological activity is one of the emerging fields in pharmaceutical chemistry.…”

Section: Introductionmentioning

confidence: 99%

Synthesis of Novel Indole Schiff Base Compounds and Their Antifungal Activities

et al. 2022

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A series of novel indole Schiff base derivatives (2a–2t) containing a 1,3,4-thiadiazole scaffold modified with a thioether group were synthesized, and their structures were confirmed using FT-IR, 1H NMR, 13C NMR, and HR-MS. In addition, the antifungal activity of synthesized indole derivatives was investigated against Fusarium graminearum (F. graminearum), Fusarium oxysporum (F. oxysporum), Fusariummoniliforme (F.moniliforme), Curvularia lunata (C. lunata), and Phytophthora parasitica var. nicotiana (P. p. var. nicotianae) using the mycelium growth rate method. Among the synthesized indole derivatives, compound 2j showed the highest inhibition rates of 100%, 95.7%, 89%, and 76.5% at a concentration of 500 μg/mL against F. graminearum, F. oxysporum, F.moniliforme, and P. p. var. nicotianae, respectively. Similarly, compounds 2j and 2q exhibited higher inhibition rates of 81.9% and 83.7% at a concentration of 500 μg/mL against C. lunata. In addition, compound 2j has been recognized as a potential compound for further investigation in the field of fungicides.

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Section: Introductionmentioning

confidence: 99%

Synthesis of Novel Indole Schiff Base Compounds and Their Antifungal Activities

et al. 2022

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“…Indole is an important nitrogen-containing heterocyclic compound. Indole and indole derivatives have a broad spectrum of biological activities such as antifungal [20][21][22][23][24][25][26], antibacterial [27][28][29], antimycobacterial [30], antitubercular [31][32][33], antioxidant [34], antimalarial [35][36][37], antiviral [38][39][40][41], anti-leishmanial [42][43], anti-inflammatory [44], anti-tumor [45][46][47], activities. The design and synthesis of new indole derivatives with excellent biological activity have been one of the emerging fields in pharmaceutical chemistry.…”

Section: Introductionmentioning

confidence: 99%

Synthesis of Novel Indole Schiff Base Compounds and Their Antifungal Activities

Wang¹,

Fan²,

Pan³

et al. 2022

Preprint

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A series of novel indole Schiff base derivatives (2a–2t) containing a 1,3,4-thiadiazole scaffold modified with a thioether group were synthesized, and their structures were confirmed using Fourier transformed-infrared spectroscopy (FT-IR), proton nuclear magnetic resonance spectroscopy (1H NMR), carbon nuclear magnetic resonance spectroscopy (13C NMR), and high resolution-mass spectroscopy (HR-MS). In addition, the antifungal activity of synthesized indole derivatives was investigated against Fusarium graminearum (F. graminearum), Fusarium oxysporum (F. oxysporum), Fusarium moniliforme (F. moniliforme), Curvularia lunata (C. lunata), and Phytophthora parasitica var. nicotiana (P. p. var. nicotianae) using the mycelium growth rate method. Among the synthesized indole derivatives, compound 2j showed the highest inhibition rates of 100%, 95.7%, 89%, and 76.5% at a concentration of 500 μg/mL against F. graminearum, F. oxysporum, F. moniliforme, and P. p. var. nicotianae, respectively. Similarly, compounds 2j and 2q exhibited higher inhibition rates of 81.9% and 83.7% at a concentration of 500 μg/mL against C. lunata. In addition, compound 2j has been recognized as a potential compound for further investigation in the field of fungicides.

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“…In the last years, some studies have been reported on CADD for antibacterial activity, which used small data sets that are generally focused on a single family of compounds e.g., indolylidinepyrazolone derivatives [12], N 2 -acyl isonicotinic acid hydrazide derivatives [13], ( Z )-2-(nitroimidazolylmethylene)-3(2H)-benzofuranone derivatives [14], peptides [15,16], anthraquinone derivative [17], indole carboxamide 4-piperazine derivatives [18]. An in silico strategy based on QSAR molecular topology using multi-linear regression (MLR) analysis was reported by Zanni et al to identify synthetic molecules from 141 heterogeneous active or inactive structural compounds (e.g., benzoimidazole, dihydropirrolone, dihydro-purindione, dinitrobenzene, phenyl sulfonyl morpholine, and indole derivatives) as antimicrobial agents not susceptible to one or several mechanisms of resistance such as biofilm formation, ionophore activity, epimerase activity or SOS system [19].…”

Section: Introductionmentioning

confidence: 99%

A Computer-Driven Approach to Discover Natural Product Leads for Methicillin-Resistant Staphylococcus aureus Infection Therapy

2018

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The risk of methicillin-resistant Staphylococcus aureus (MRSA) infection is increasing in both the developed and developing countries. New approaches to overcome this problem are in need. A ligand-based strategy to discover new inhibiting agents against MRSA infection was built through exploration of machine learning techniques. This strategy is based in two quantitative structure–activity relationship (QSAR) studies, one using molecular descriptors (approach A) and the other using descriptors (approach B). In the approach A, regression models were developed using a total of 6645 molecules that were extracted from the ChEMBL, PubChem and ZINC databases, and recent literature. The performance of the regression models was successfully evaluated by internal and external validation, the best model achieved R2 of 0.68 and RMSE of 0.59 for the test set. In general natural product (NP) drug discovery is a time-consuming process and several strategies for dereplication have been developed to overcome this inherent limitation. In the approach B, we developed a new NP drug discovery methodology that consists in frontloading samples with 1D NMR descriptors to predict compounds with antibacterial activity prior to bioactivity screening for NPs discovery. The NMR QSAR classification models were built using 1D NMR data (1H and 13C) as descriptors, from crude extracts, fractions and pure compounds obtained from actinobacteria isolated from marine sediments collected off the Madeira Archipelago. The overall predictability accuracies of the best model exceeded 77% for both training and test sets.

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In Vitro Antibacterial and Antifungal Activity and Computational Evaluation of Novel Indole Derivatives Containing 4-Substituted Piperazine Moieties

Cited by 7 publications

References 0 publications

Synthesis of Novel Indole Schiff Base Compounds and Their Antifungal Activities

Synthesis of Novel Indole Schiff Base Compounds and Their Antifungal Activities

Synthesis of Novel Indole Schiff Base Compounds and Their Antifungal Activities

A Computer-Driven Approach to Discover Natural Product Leads for Methicillin-Resistant Staphylococcus aureus Infection Therapy

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