Synthesis, biological activities and docking studies of piperazine incorporated 1, 3, 4-oxadiazole derivatives

Bhati, Shipra; Kumar, Vijay; Singh, Joginder

doi:10.1016/j.molstruc.2019.04.106

Cited by 38 publications

(11 citation statements)

References 47 publications

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“…The flavonoids and polyphenols are used in protection against allergies, antioxidative activities, inflammation, microbes, platelet aggregation, ulcers, tumor, viruses, and hepatic toxicity. 7,[10][11][12][13][14][15][16] acetone, and methanol extracts of SB and STB was 73.61 ± 2.14%, 88.05 ± 3.65%, 81.93 ± 2.89%, 82.23 ± 3.12%, 84.24 ± 2.54%, and 93.62 ± 3.53%, respectively (Fig. 1B).…”

Section: Qualitative and Quantitative Analysis Of Phytochemicalsmentioning

confidence: 96%

“…Saponins are reported to have antidiabetic and hypocholesterolemic properties, while triterpenoids display anticancer and analgesic properties. [11][12][13][14][15] Secondary metabolites play a potent role in pharmacological industrial sector. Dissimilarities were identified between previous and current studies.…”

Section: Physicochemical Parametersmentioning

confidence: 99%

“…Recent studies revealed that BC is an important plant as it helps in wound-healing, gastric ulcer treatment and has antistress, antidiarrheal, anti-venom, antimicrobial, antioxidant anti-inflammatory, analgesic, and anti-Alzheimer properties. [5][6][7][8][9][10][11][12][13][14][15][16][17] During the course of our study of the biologically active constituents of BC, we examined the chemical constituents of the small branches (SBs) and stem bark (STB) in various extracts. In the current study, we investigated the phytochemical, antioxidant, and antimicrobial properties of the extracts (petroleum ether, acetone, and methanol) of SB and STB obtained from BC.…”

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confidence: 99%

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Comparative Assessment of Phytochemicals, Antioxidant, and Antimicrobial Potential of Stem Bark and Small Branches of Buchanania cochinchinensis (Lour.) MR Almeida for Substitution in Ayurvedic Drugs

Dixit¹,

Kumar²,

Maloni³

et al. 2019

Journal of Drug Research in Ayurvedic Sciences

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Aim: Present study was intended to investigate the physicochemical parameters, phytochemical constituents, and biochemical studies of the stem bark (STB) and small branches (SBs) of Buchanania cochinchinensis (Lour.) MR Almeida. Materials and methods: The parameters were checked in different solvent systems, viz., petroleum ether, acetone, and methanol. Results: Significant antioxidant (10-85%) and antimicrobial (5-20 mm) activities were observed in acetone and methanolic extracts of STB and SB as compared to the controls. In acetone and methanolic extracts, the observed values for total phenol content (TPC) ranged from 10 mg to 93 mg of gallic acid equivalent per gram of extract and the total flavonoid content (TFC) ranged from 30 mg to 87 mg of quercetin equivalent (QE) per gram of extract. Bovine serum albumin (BSA) protein interaction studies of all the extracts were performed and the observed values for binding constant ranged from 22 to 62 × 10 − 5 μM − 1 . Conclusion: Overall, acetone and methanolic extracts of STB and SB of plant have shown significant results in medicinal aspects mentioned above. Clinical significance: These comparative findings of STB and SB of Buchanania cochinchinensis (Lour.) MR Almeida provide undeniable systematic facts of its beneficial prospective as an Ayurvedic drug.

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Section: Qualitative and Quantitative Analysis Of Phytochemicalsmentioning

confidence: 96%

Section: Physicochemical Parametersmentioning

confidence: 99%

mentioning

confidence: 99%

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Comparative Assessment of Phytochemicals, Antioxidant, and Antimicrobial Potential of Stem Bark and Small Branches of Buchanania cochinchinensis (Lour.) MR Almeida for Substitution in Ayurvedic Drugs

Dixit¹,

Kumar²,

Maloni³

et al. 2019

Journal of Drug Research in Ayurvedic Sciences

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“…The majority of biosurfactant is either neutral or anionic while cationic biosurfactants are possessing amine groups. Long-chain fatty acids make up the hydrophilic moiety, which can be any amino acid, glycogen, cyclic peptide, alcohol, or phosphate carboxyl acid, whereas monosaccharides, proteins, polysaccharides, or peptides make up a hydrophobic portion of the biosurfactant ( Saharan et al, 2011 ; Bhati et al, 2019 ). Biosurfactants typically have a molar mass of 500–1,500 Dalton ( Akbari et al, 2018 ).…”

Section: Biosurfactants: the Next Age Compounds In Pesticide Remediation And Their Typesmentioning

confidence: 99%

Tapping the Role of Microbial Biosurfactants in Pesticide Remediation: An Eco-Friendly Approach for Environmental Sustainability

2021

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Pesticides are used indiscriminately all over the world to protect crops from pests and pathogens. If they are used in excess, they contaminate the soil and water bodies and negatively affect human health and the environment. However, bioremediation is the most viable option to deal with these pollutants, but it has certain limitations. Therefore, harnessing the role of microbial biosurfactants in pesticide remediation is a promising approach. Biosurfactants are the amphiphilic compounds that can help to increase the bioavailability of pesticides, and speeds up the bioremediation process. Biosurfactants lower the surface area and interfacial tension of immiscible fluids and boost the solubility and sorption of hydrophobic pesticide contaminants. They have the property of biodegradability, low toxicity, high selectivity, and broad action spectrum under extreme pH, temperature, and salinity conditions, as well as a low critical micelle concentration (CMC). All these factors can augment the process of pesticide remediation. Application of metagenomic and in-silico tools would help by rapidly characterizing pesticide degrading microorganisms at a taxonomic and functional level. A comprehensive review of the literature shows that the role of biosurfactants in the biological remediation of pesticides has received limited attention. Therefore, this article is intended to provide a detailed overview of the role of various biosurfactants in improving pesticide remediation as well as different methods used for the detection of microbial biosurfactants. Additionally, this article covers the role of advanced metagenomics tools in characterizing the biosurfactant producing pesticide degrading microbes from different environments.

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“…Docking results of the designed ligands (L1-L20) and control. [34,35,36,37,38]. The interactions of ligand L10 and control with the functional residues of 6WUU were studied using the Ligplotþ program and are depicted in Figure 5 (a) and (b) respectively.…”

Section: Molecular Docking Studiesmentioning

confidence: 99%

Structure-based drug designing of naphthalene based SARS-CoV PLpro inhibitors for the treatment of COVID-19

Bhati¹

2020

Heliyon

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The emergence of Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has imposed a greater challenge for the world. Coronavirus has infected over 38.3 million people and caused millions of deaths worldwide. The COVID-19 outbreak has accentuated the need for additional efforts to develop broad-spectrum therapeutics to combat SARS-CoV-2 infection. In the current investigation, an attempt was made to design potential SARS-CoV PLpro inhibitors containing naphthalene and 3,4-dihydro-2H-pyran moieties connected via-NHCO-linker. The ligands obeyed Lipinski's rule and were found to have good drug-likeness and ADMET properties. Docking simulations confirmed strong binding affinity and inhibition potential of the designed ligands against the receptor SARS CoV-2 Papain-like protease (PLpro). LigandL10 incorporating the oxadiazole ring system displayed better binding affinity than the control 5-acetamido-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide. Further, the docked complex of LigandL10 was subjected to molecular dynamics (MD) simulation to examine the molecular mechanisms of protein-ligand interactions. The results of the present study are encouraging. Ligand L10 emerged as the most potent ligand in the series and could be considered for further research for the development of potential therapeutics for the treatment of COVID-19.

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Synthesis, biological activities and docking studies of piperazine incorporated 1, 3, 4-oxadiazole derivatives

Cited by 38 publications

References 47 publications

Comparative Assessment of Phytochemicals, Antioxidant, and Antimicrobial Potential of Stem Bark and Small Branches of Buchanania cochinchinensis (Lour.) MR Almeida for Substitution in Ayurvedic Drugs

Comparative Assessment of Phytochemicals, Antioxidant, and Antimicrobial Potential of Stem Bark and Small Branches of Buchanania cochinchinensis (Lour.) MR Almeida for Substitution in Ayurvedic Drugs

Tapping the Role of Microbial Biosurfactants in Pesticide Remediation: An Eco-Friendly Approach for Environmental Sustainability

Structure-based drug designing of naphthalene based SARS-CoV PLpro inhibitors for the treatment of COVID-19

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