Flurbiprofen derivatives as novel α-amylase inhibitors: Biology-oriented drug synthesis (BIODS), in vitro, and in silico evaluation

Khan, Momin; Alam, Aftab; Khan, Khalid Mohammed; Salar, Uzma; Chigurupati, Sridevi; Wadood, Abdul; Ali, Farman; Mohammad, Jahidul Islam; Riaz, Muhammad; Perveen, Shahnaz

doi:10.1016/j.bioorg.2018.07.038

Cited by 56 publications

(35 citation statements)

References 25 publications

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“…Compound 2-4 were the derivatives of thiourea, previously reported by Bilquees et al 35 , from our institute all these compounds showed potent inhibition (6.5 ± 0.8, 27.4 ± 1.7 and 280.6 ± 9.6 µM respectively), except compound 4 as compare to standard pentoxifyllin (IC 50 = 340.6 ± 7.54 µM), against TNF-α. Similarly compound 5 was the derivative of Flurbiprofen; the most important NSAIDs (non-steroidal anti-inflammatory drugs), which is widely used to treat arthritis 36 , previously synthesized by Momin et al 37 , from our institute. Compound 5 showed inhibition against TNF-α with the IC 50 value of 117.7 ± 1.1 µM.…”

Section: Molecular Docking Studiesmentioning

confidence: 99%

Identification of potential TNF-α inhibitors: from in silico to in vitro studies

Zia

Ashraf

Jabeen

et al. 2020

Sci Rep

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Tumor Necrosis Factor Alpha (TNF-α) is a pleiotropic pro-inflammatory cytokine. It act as central biological regulator in critical immune functions, but its dysregulation has been linked with a number of diseases. Inhibition of TNF-α has considerable therapeutic potential for diseases such as cancer, diabetes, and especially autoimmune diseases. Despite the fact that many small molecule inhibitors have been identified against TNF-α, no orally active drug has been reported yet which demand an urgent need of a small molecule drug against TNF-α. This study focuses on the development of ligand-based selective pharmacophore model to perform virtual screening of plant origin natural product database for the identification of potential inhibitors against TNF-α. The resultant hits, identified as actives were evaluated by molecular docking studies to get insight into their potential binding interaction with the target protein. Based on pharmacophore matching, interacting residues, docking score, more affinity towards TNF-α with diverse scaffolds five compounds were selected for in vitro activity study. Experimental validation led to the identification of three chemically diverse potential compounds with the IC50 32.5 ± 4.5 µM, 6.5 ± 0.8 µM and 27.4 ± 1.7 µM, respectively.

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Section: Molecular Docking Studiesmentioning

confidence: 99%

Identification of potential TNF-α inhibitors: from in silico to in vitro studies

Zia

Ashraf

Jabeen

et al. 2020

Sci Rep

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“…The α-amylase repressing activity was assayed by a reported technique with slight modification. 17 The sample (500 µL) was added with 0.5 mg/mL of α-amylase (500 µL) and was incubated at 25°C (10 min). 500 μL of starch solution has been added then incubated for further 10 min at 25°C.…”

Section: In Vitro Antidiabetic Activity α-Amylase Inhibition Assaymentioning

confidence: 99%

Bacterial Endophyte Inhabiting Durio zibethinus and its Radical Scavenging and Antidiabetic Potential

Chigurupati¹,

Vijayabalan²,

Palanimuthu³

et al. 2021

IJPER

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Background: Endophytes, markedly receiving interest and has been detected to be remarkable sources of bioactive metabolites. Endophytes, which are also called as endosymbionts have pulled into consideration in the discovery for novel bioactive compounds that can be utilized as new medications. In the current study, endophyte has been isolated from Durio zibethinus leaves. 16s rRNA partial genome sequencing was used to identify selected endophyte and the obtained bacterial endophytic crude extract (DZLM) was subjected for the antioxidant and antidiabetic investigations. Results: Cronobacter sakazakii was identifies as the endophye. Qualitative phytochemical test on DZLM confirmed the presence of phenols, carbohydrates, alkaloids, flavonoids, steroids, mucilage, and glycosides. The antioxidant assay of DZLM showed the good antioxidant potency with IC 50 ±SEM: 161±0.08 µg/mL for DPPH assay and IC 50 ±SEM: 126± 0.09 µg/mL for ABTS assay. Antidiabetic assay results demonstrated a dosedependent percentage inhibition of the enzymes. The results revealed good inhibition of α-amylase with IC 50 ±SEM: 239±0.08µg/mL and α-glucosidase inhibition with IC 50 ±SEM: 241±0.08 µg/mL for DZLM compared to the standard drug, acarbose. Conclusion: The study uncovered the fact that DZLM has a wellspring of natural source of antioxidant and antidiabetic agents and further studies are required for fractionation of the active constituents existing in DZLM and also their structural elucidation which supports the application of endo-symbionts as the basis of future natural medicines.

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“…The numerous biologically active hydrazide-hydrazones are particularly worth paying attention to [54]. Depending on the character of the present functional groups, these molecules are anticancer [43,[55][56][57][58], antimicrobial [32,[59][60][61][62], antiviral agents [63,64], and enzyme inhibitors [31,48,[65][66][67][68][69][70][71][72][73][74][75][76][77][78]. Depending on the class of inhibited enzymes, the latter group may be further divided into monoamine oxidases [67,71,79], lipid metabolism enzymes [74,75], and metalloenzyme inhibitors [31,65,66,[68][69][70]77,78,80].…”

Section: Introductionmentioning

confidence: 99%

“…Depending on the character of the present functional groups, these molecules are anticancer [43,[55][56][57][58], antimicrobial [32,[59][60][61][62], antiviral agents [63,64], and enzyme inhibitors [31,48,[65][66][67][68][69][70][71][72][73][74][75][76][77][78]. Depending on the class of inhibited enzymes, the latter group may be further divided into monoamine oxidases [67,71,79], lipid metabolism enzymes [74,75], and metalloenzyme inhibitors [31,65,66,[68][69][70]77,78,80]. Nevertheless, knowledge about the hydrazide-hydrazones as inhibitors of metalloenzymes is still limited only to several studies reported in the literature so far.…”

Section: Introductionmentioning

confidence: 99%

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Inhibitory Potential of New Phenolic Hydrazide-Hydrazones with a Decoy Substrate Fragment towards Laccase from a Phytopathogenic Fungus: SAR and Molecular Docking Studies

Maniak

Talma

Giurg

2021

IJMS

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Laccase from pathogenic fungi participates in both the delignification and neutralization of phytoantibiotics. Furthermore, it interferes with the hormone signaling in plants and catalyzes melanization. Infections of these pathogens contribute to loss in forestry, agriculture, and horticulture. As there is still a need to expand knowledge on efficient defense strategies against phytopathogenic fungi, the present study aimed to reveal more information on the molecular mechanisms of laccase inhibition with natural and natural-like carboxylic acid semi-synthetic derivatives. A set of hydrazide-hydrazones derived from carboxylic acids, generally including electron-rich arene units that serve as a decoy substrate, was synthesized and tested with laccase from Trametes versicolor. The classic synthesis of the title inhibitors proceeded with good to almost quantitative yield. Ninety percent of the tested molecules were active in the range of KI = 8–233 µM and showed different types of action. Such magnitude of inhibition constants qualified the hydrazide-hydrazones as strong laccase inhibitors. Molecular docking studies supporting the experimental data explained the selected derivatives’ interactions with the enzyme. The results are promising in developing new potential antifungal agents mitigating the damage scale in the plant cultivation, gardening, and horticulture sectors.

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Flurbiprofen derivatives as novel α-amylase inhibitors: Biology-oriented drug synthesis (BIODS), in vitro, and in silico evaluation

Cited by 56 publications

References 25 publications

Identification of potential TNF-α inhibitors: from in silico to in vitro studies

Identification of potential TNF-α inhibitors: from in silico to in vitro studies

Bacterial Endophyte Inhabiting Durio zibethinus and its Radical Scavenging and Antidiabetic Potential

Inhibitory Potential of New Phenolic Hydrazide-Hydrazones with a Decoy Substrate Fragment towards Laccase from a Phytopathogenic Fungus: SAR and Molecular Docking Studies

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