Design, synthesis, molecular docking and in silico ADMET investigations of novel piperidine-bearing cinnamic acid hybrids as potent antimicrobial agents

Zala, Ajayrajsinh R.; Rajani, Dhanji P.; Kumari, Premlata

doi:10.1007/s13738-023-02801-1

Cited by 8 publications

(2 citation statements)

References 42 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Among countless heterocycles, selecting certain heterocycles such as benzimidazole, piperazine, and piperidine is based on multiple aspects, such as their chemical characteristics, reactivity, biological activity, synthetic accessibility, and intended uses. Analogs comprising benzimidazole, piperazine, and piperidine demonstrate a wide range of biological activities, including anti‐mycobacterial, anti‐diabetic, antibacterial, anti‐malarial, antioxidant, anti‐viral, antifungal, anti‐HIV, anti‐tumor, anti‐analgesic, and anticonvulsant activities attracted attention as well [6–13] and also, they are very popular to design motif for making drugs. The biological significance of benzimidazoles is due to its conjugated ring structure, benzimidazoles′ aromatic characteristics which also contribute to their stability and reactivity.…”

Section: Introductionmentioning

confidence: 99%

Versatile Therapeutic Values of N‐Containing Heterocycles Benzimidazole, Piperazine and Piperidine Hybrids

Zala,

Kumari

2023

ChemistrySelect

Self Cite

View full text Add to dashboard Cite

Nitrogen‐containing benzimidazole, piperazine, and piperidine are significant pharmacophores in medicinal chemistry and drug development. Many medications, lead compounds, and various reagents have these N‐containing scaffolds. This review concentrated on the development of novel therapeutic agents as well as the broad range of pharmacological actions demonstrated by benzimidazole, piperazine, and piperidine hybrids. The review emphasizes these hybrids′ potential, range, and medical significance. The review also discusses the structural criteria for benzimidazole, piperazine, and piperidine hybrids created by diverse chemists to be physiologically effective against a variety of disorders.

show abstract

Section: Introductionmentioning

confidence: 99%

Versatile Therapeutic Values of N‐Containing Heterocycles Benzimidazole, Piperazine and Piperidine Hybrids

Zala,

Kumari

2023

ChemistrySelect

Self Cite

View full text Add to dashboard Cite

show abstract

“…It's found in a wide range of active synthetic pharmaceuticals. Piperidine derivatives are a intriguing class of N-heterocycles observed in medicinal medicines and antiproliferative, antitubercular, and antioxidant, chiral molecules that have significant biological activity, such as antihypertensive, antibacterial, anticonvulsant, antimalarial, anti-inflammatory (4)(5)(6) .…”

Section: Introductionmentioning

confidence: 99%

Spectral Investigations, DFT Studies, ADME Analysis, Molecular Docking of New Piperidine Derivatives with Potential Antimicrobial Activity

Agrawal,

Patel,

Thakur

et al. 2023

IJST

View full text Add to dashboard Cite

Objective: To explore the possibility of obtaining effective and harmless antibacterial drugs by conventional synthesis of new piperidine analogs. Methods: The target compound was carried out by cyclization reaction involving aromatic aldehydes and amine and further evaluated for their antimicrobiological assay using agar disc diffusion method. Computational investigation such as density functional theory (DFT) was carried out by B3LYP/6-31G (d,p) method to evaluate their electronic characteristics. Absorption, Distribution, Metabolism, and Excretion (ADME) properties were evaluated using the Swiss ADME server. The Antimicrobial activity was investigated using molecular docking and that molecule was prepared using MGL Tools 1.5.7. Auto Dock Vina 1.2.0. Findings: Among all the synthesized compounds 5a to 5h, compounds 5b and 5e showed good anti-bacterial properties against three pathogenic bacterial strains. B. subtilis is inhibited by compound 5b at a concentration of 26 mm. B. subtilis is inhibited by compound 5e at a concentration of 25 mm. Molecular Docking revealed that molecules 5b and 5e consistently showed a large binding affinity for all six target proteins, which was similar to that of the reference molecule, streptomycin. Drug-likeness predictions and the ADME analysis showed that most of the molecules do not violate any of the five Lipinski rule while some have only one or two violations, primarily because of high molecular weight. Novelty: In order to investigate the anti-bacterial impact of piperidine derivatives, a lot of work has been put into their synthesis and evaluation. These results might influence the creation and advancement of anti-microbial medication candidates that are more potent.

show abstract

Design and synthesis of pyrrolo[2,3-d]pyrimidine linked hybrids as α-amylase inhibitors: molecular docking, MD simulation, ADMET and antidiabetic screening

et al. 2023

View full text Add to dashboard Cite

Design, synthesis, molecular docking and in silico ADMET investigations of novel piperidine-bearing cinnamic acid hybrids as potent antimicrobial agents

Cited by 8 publications

References 42 publications

Versatile Therapeutic Values of N‐Containing Heterocycles Benzimidazole, Piperazine and Piperidine Hybrids

Versatile Therapeutic Values of N‐Containing Heterocycles Benzimidazole, Piperazine and Piperidine Hybrids

Spectral Investigations, DFT Studies, ADME Analysis, Molecular Docking of New Piperidine Derivatives with Potential Antimicrobial Activity

Design and synthesis of pyrrolo[2,3-d]pyrimidine linked hybrids as α-amylase inhibitors: molecular docking, MD simulation, ADMET and antidiabetic screening

Contact Info

Product

Resources

About