Antibacterial activity and molecular docking studies of series hydroxyxanthone

Yuanita, Emmy; Sudarma, Made; Sudewiningsih, N. M.; Syahri, Jufrizal; Dharmayani, Ni Komang Tri; Sudirman, Sudirman; Ulfa, Maria; Sumarlan, I.

doi:10.1063/5.0001090

Cited by 5 publications

(13 citation statements)

References 13 publications

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“…MRSA is known for its multidrug resistance [ 24 ]. The 3D Crystal Structure of the Methicillin-Resistant Staphylococcus aureus Sar2676 (PDB code: 2X3F ) protein [ 25 ]that has not undergone any mutation in the amino sequence, with a resolution of 1.95 Å was retrieved from the protein data bank ( http://www.rscb.org ) and the molecular docking was performed using Molecular Operating Environment (MOE 2015.10) software.…”

Section: Methodsmentioning

confidence: 99%

Design and synthesis of novel enantiopure Bis(5-Isoxazolidine) derivatives: insights into their antioxidant and antimicrobial potential via in silico drug-likeness, pharmacokinetic, medicinal chemistry properties, and molecular docking studies

Alrabie¹,

ALSaeedy²,

Alrabie³

et al. 2022

Heliyon

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Section: Methodsmentioning

confidence: 99%

Design and synthesis of novel enantiopure Bis(5-Isoxazolidine) derivatives: insights into their antioxidant and antimicrobial potential via in silico drug-likeness, pharmacokinetic, medicinal chemistry properties, and molecular docking studies

Alrabie¹,

ALSaeedy²,

Alrabie³

et al. 2022

Heliyon

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“…The bromination reaction to produce 2,4dibromo-1,3-dihydroxythioxantone (TX16) was carried out by reacting 1,3-dihydroxythioxanthone (TX10) with potassium bromate (KBrO 3 ), hydrobromic acid (HBr), acetic acid (CH 3 COOH) at room temperature for 2 hours (Scheme 1). The structure of compounds TX15 and TX16 were elucidated by FTIR, DI-MS, HRMS, 1 H-NMR, and 13 C-NMR spectra analysis (see supporting information). In general, the IR spectrum of compounds TX15 and TX16 revealed some important peaks.…”

Section: Synthesis Of Thioxanthone Derivativesmentioning

confidence: 99%

In silico Approach for Design, Synthesis and Biological Evaluation of Tioxanthone Derivatives as Potential Anticancer Agents

Hermawan,

Jumina,

Pranowo

et al. 2024

ChemistrySelect

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The investigation of thioxanthones involved molecular docking, molecular dynamics simulation, synthesis, and evaluation of their potential as anticancer agents. Molecular docking analyses indicated that 2,4‐dichloro‐1,3‐dihydroxythioxanthone and 2,4‐dibromo‐1,3‐dihydroxythioxanthone had lower binding energies and 4‐bromo‐1,3‐dihydroxythioxanthone had the similar binding energy compared to erlotinib. In 50 ns molecular dynamics simulation, 2,4‐dichloro‐1,3‐dihydroxythioxanthone and 2,4‐dibromo‐1,3‐dihydroxythioxanthone complex exhibited more stability than 4‐bromo‐1,3‐dihydroxythioxanthone and erlotinib, while it had similar stability with doxorubicin. These compounds comply the Lipinski's rule parameters and the minimum required parameters of ADMET. The evaluated anticancer activity of 2,4‐dichloro‐1,3‐dihydroxythioxanthone and 2,4‐dibromo‐1,3‐dihydroxythioxanthone revealed them inactive against cervical cancer (HeLa) and colorectal cancer (WiDr) with IC50 more than 100 μM, however was moderate activity toward breast cancer (T47D) and lung cancer (A549). The selectivity index (SI) values of those compounds (7.71–148.4) passed the parameter SI. Based on these findings, 2,4‐dibromo‐1,3‐dihydroxythioxanthone was the most promising anticancer candidate for T47D cancer cell.

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“…Detected in RDLE, tannins (G'massampou et al, 2021;Sieniawska & Baj, 2017;Smeriglio et al, 2017) and several xanthone derivatives (Huang et al, 2021;Pinto et al, 2021;Song et al, 2021;Yuanita et al, 2020) exhibit anti-Staphylococcal bioactivity. Leaf extracts of A. crassiflora that had these phytochemicals removed, and no inhibitory effects on bacterial growth were observed (Ribeiro et al, 2018).…”

Section: An Bacterial Ac Vity Of Extractsmentioning

confidence: 99%

Phytochemical screening and potential antioxidant, antibacterial and anti-melanoma activities of Rollinia dolabripetala leaves

Campos¹,

Oliveira²,

Silva-Júnior³

et al. 2022

NRFHH

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Plants are an important source of natural compounds used for medicine. The Annonaceae family exhibits a cytotoxic effect on different tumor strains and on several bacterial strains. This unprecedented study investigates the antioxidant, anti-melanoma, anti-staphylococcal and anti-streptococcal potential of hydroalcoholic extracts of Rollinia dolabripetala leaves and of 1.7 -dihydroxyxanthone and xanthone phytocompounds. The determination of the antioxidant capacity was performed by the DPPH and lipid peroxidation methods. Isolated phytochemicals xanthone and 1.7-dihydroxyxanthone were also included in cytotoxicity and antimicrobial tests. Assays for antitumor leaf potential were performed on melanoma carcinogenic cells and assays for antibacterial potential were performed on Gram-positive Staphylococcus aureus 29213 (SA13), S. aureus 4075 (SA75) and Streptococcus bovis-01 (SB01) strains. The phytochemical prospection revealed the presence of flavonols, tannins and xanthones. Halo inhibition (mm) of Gram-positive SA13 was 7.00 ± 0.38. There was no inhibitory effect on SA75 and SB01 strains. The antitumor activity, expressed in the minimum lethal concentration (GI50) was in μg/mL: R. dolabripetala: 47.04, 1.7-dihydroxyxanthone: 0.98, Xanthone: 3.38, and 5-Fluorouracil: 0.24. When comparing treatments with 5-Fluorouracil, the best correlation between dosage and the inhibition rate occurs with 1.7-dihydroxy-xanthone followed by R. dolabripetala treatment. In conclusion, R. dolabripetala exhibits antioxidant, anti-staphylococcal and anti-melanoma bioactivities with 1.7-dihydroxy-xanthone exhibiting the best correlation between dosage and inhibition rate. Phytochemicals such as, flavonols, tannins and xanthone reinforce the biological results obtained. The seasonal factor in the collection of plant samples may explain the discrepancies in the phytochemical data of R. dolabripetala compared to other species of the genus.

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Antibacterial activity and molecular docking studies of series hydroxyxanthone

Cited by 5 publications

References 13 publications

Design and synthesis of novel enantiopure Bis(5-Isoxazolidine) derivatives: insights into their antioxidant and antimicrobial potential via in silico drug-likeness, pharmacokinetic, medicinal chemistry properties, and molecular docking studies

Design and synthesis of novel enantiopure Bis(5-Isoxazolidine) derivatives: insights into their antioxidant and antimicrobial potential via in silico drug-likeness, pharmacokinetic, medicinal chemistry properties, and molecular docking studies

In silico Approach for Design, Synthesis and Biological Evaluation of Tioxanthone Derivatives as Potential Anticancer Agents

Phytochemical screening and potential antioxidant, antibacterial and anti-melanoma activities of <i>Rollinia dolabripetala</i> leaves

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