Prospects of Indole derivatives as methyl transfer inhibitors: antimicrobial resistance managers

Tha, Suprim; Shakya, Sapana; Malla, Rajani; Aryal, Pramod

doi:10.1186/s40360-020-00402-9

Cited by 5 publications

(4 citation statements)

References 54 publications

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“…All compounds have been assessed for their ADMET profile in ADMET Predictor version 10.4 provided by the Simulation Plus software package [ 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 , 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 , 42 , 43 , 44 , 45 , 46 , 47 , 48 , 49 ...…”

Section: Resultsmentioning

confidence: 99%

“…Another promising scaffold is the indole ring attracting considerable attention because of its presence in proteins, amino acids, and bioactive alkaloids [ 19 ], and the wide range of biological activities of its derivatives [ 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 , 32 , 33 , 34 , 35 ], among which is antimicrobial activity [ 36 , 37 , 38 , 39 , 40 , 41 ]. Furthermore, indole ring is present in many approved drugs ( Figure 2 ).…”

Section: Introductionmentioning

confidence: 99%

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N-Derivatives of (Z)-Methyl 3-(4-Oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylates as Antimicrobial Agents—In Silico and In Vitro Evaluation

et al. 2023

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Herein, we report the experimental evaluation of the antimicrobial activity of seventeen new (Z)-methyl 3-(4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylate derivatives. All tested compounds exhibited antibacterial activity against eight Gram-positive and Gram-negative bacteria. Their activity exceeded those of ampicillin as well as streptomycin by 10–50 fold. The most sensitive bacterium was En. Cloacae, while E. coli was the most resistant one, followed by M. flavus. The most active compound appeared to be compound 8 with MIC at 0.004–0.03 mg/mL and MBC at 0.008–0.06 mg/mL. The antifungal activity of tested compounds was good to excellent with MIC in the range of 0.004–0.06 mg/mL, with compound 15 being the most potent. T. viride was the most sensitive fungal, while A. fumigatus was the most resistant one. Docking studies revealed that the inhibition of E. coli MurB is probably responsible for their antibacterial activity, while 14a–lanosterol demethylase of CYP51Ca is involved in the mechanism of antifungal activity. Furthermore, drug-likeness and ADMET profile prediction were performed. Finally, the cytotoxicity studies were performed for the most active compounds using MTT assay against normal MRC5 cells.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

N-Derivatives of (Z)-Methyl 3-(4-Oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylates as Antimicrobial Agents—In Silico and In Vitro Evaluation

et al. 2023

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“…Indoles (Fig. 1), imidazoles, thazines, pyrroles, quinolones, and pyridine derivatives are pharmacologically interesting heterocycles which show biological activity and antimicrobial activity [2].…”

Section: Introductionmentioning

confidence: 99%

Synthesis of Indoles Derivatives Using Metal Free Catalyst in Organic Reactions

Das¹,

Dangi²,

Kashaw³

2021

Ankara Universitesi Eczacilik Fakultesi Dergisi

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Objective: Indole derivatives are one of the most flexible and common nitrogen-based skeletons and often used in the synthesis of numerous heterocyclic compounds, having biological or medicinal importance. Many indole derivatives have been isolated naturally from plants, fungi, and marine organisms and are highly important due to their pharmaceutical activities. They also play a significant character in polymer and dye industries as well as in the agriculture sector. There exists an immense potential for designing and methodology development for the synthesis of indole based heterocyclic scaffold structure with desire chemical and biomedical relevance.Result and Discussion: In this present review, we outlined the recent applications of indoles in the onepot multi-component reaction using metal free catalysts for the preparation of various heterocyclic scaffolds and their corresponding biological activities are also discussed.

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“…This type of drug interferes with the post-translational activities of viral polypeptides and prevents the replication and proliferation of the viruses [3]. Likewise, indole derivatives are the potential drug candidates which also have wide range of applications that includes the probable inhibitory effects on the invading pathogens, and the anticancer efficacy by demonstrating a dose-dependent cytotoxicity against the tested carcinoma cells [6,7].…”

Section: Introductionmentioning

confidence: 99%

Structural Analysis of COVID-19 Main Protease and its Interaction with the Inhibitor N3

Ram¹,

Lamichhane

Prasad³

et al. 2020

Preprint

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<i>Here, we analyze the structural features of a ligand binding domain (LBD) in COVID-19 main protease (MP) followed by the interactions between the inhibitor N3 and MP-LBD residues through the molecular dynamics simulations. The time based changes in physical parameters that includes root mean square deviation (RMSD), root mean square fluctuation (RMSF), radius of gyration (RG), dihedral distributions, residue velocity, radial distribution function (RDF) and H-bonding signify the degrees of folding states in MP-N3 complex formed by the superimposed b-barrels and flexible a-helices. Sharp and flat RDF peaks observed for the atom pairs dictate the flexibility of MP-LBD residues during their interactions with N3. In spite of larger solvent accessibility of N3, it interacts strongly with the LBD residues resulting in H-bonding. Among the LBD residues, GLU166 is found to have the lowest residue velocity that offers the sharp RDF peaks for three H-bonding atom pairs nearly at 2 Å radial distance, whereas GLY143 has the highest value of residue velocity giving rise to a flat RDF peak for the MP-N3 atom pair. Furthermore, electrostatic and van der Waals interaction energies between N3 and MP-LBD residues are noted to have the negative values. All these parameters explain the binding nature of N3 like inhibitors to the substrate binding sites of COVID-19 main protease. These analysis are expected to be a possible route applicable in drug designing mechanism to restrict the viral replication and transcription of COVID-19.</i><i> </i>

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Prospects of Indole derivatives as methyl transfer inhibitors: antimicrobial resistance managers

Cited by 5 publications

References 54 publications

N-Derivatives of (Z)-Methyl 3-(4-Oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylates as Antimicrobial Agents—In Silico and In Vitro Evaluation

N-Derivatives of (Z)-Methyl 3-(4-Oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylates as Antimicrobial Agents—In Silico and In Vitro Evaluation

Synthesis of Indoles Derivatives Using Metal Free Catalyst in Organic Reactions

Structural Analysis of COVID-19 Main Protease and its Interaction with the Inhibitor N3

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