İstanbul Journal of Pharmacy

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Research Article


DOI :10.26650/IstanbulJPharm.2022.958484   IUP :10.26650/IstanbulJPharm.2022.958484    Full Text (PDF)

Synthesis, antifungal activity and in silico ADMET studies of benzyl alcohol derivatives

Justina Benson Ogala, Yusuf Hassan, Abdullahi Samaila, Murtala Isah Bindawa, Tuğba Taşkın Tok

Background and Aims: Fungal infections continue to pose a serious threat to human well-being due to the increasing cases of resistance against the existing antifungal drugs. Consequently, efforts are increasingly focused towards investigating new moieties with potential activity against different fungal species. The object of this work was to synthesize and evaluate the antifungal activity of five benzyl alcohol derivatives against Candida albicans and Trichophyton rubrum and also to study the biochemical as well as the ADMET properties of the compounds in silico. Methods: The target compounds were obtained by the reduction of the appropriate aldehyde using sodium borohydride. Subsequently the compounds were tested against the two fungal species using ketoconazole as the positive control. The biochemical activities as well as the ADMET properties were calculated at DFT/B3LYP/6-311G* basis set with the help of Gaussian09 (G09) software. Results: The findings revealed that some of the compounds exhibited interesting inhibitory action against C. albicans while others against T. rubrum. However, the MIC and MFC results demonstrated that none of the compounds were fungicidal at the concentrations tested. In silico ADMET studies showed that all the compounds have a good cell permeability index, their human intestinal absorption values were within the recommended scale and with good plasma protein binding. Conclusion: The benzyl alcohol derivatives studied in this work have exhibited some encouraging antifungal activity and favorable biochemical as well as pharmacokinetic properties.

Keywords: ADMET properties, Antifungal activity, Benzyl alcohol, Candida albicans, Trichophytonrubrum

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APA

Ogala, J.B., Hassan, Y., Samaila, A., Bindawa, M.I., & Taşkın Tok, T. (2022). Synthesis, antifungal activity and in silico ADMET studies of benzyl alcohol derivatives. İstanbul Journal of Pharmacy, 52(1), 47-53. https://doi.org/10.26650/IstanbulJPharm.2022.958484


AMA

Ogala J B, Hassan Y, Samaila A, Bindawa M I, Taşkın Tok T. Synthesis, antifungal activity and in silico ADMET studies of benzyl alcohol derivatives. İstanbul Journal of Pharmacy. 2022;52(1):47-53. https://doi.org/10.26650/IstanbulJPharm.2022.958484


ABNT

Ogala, J.B.; Hassan, Y.; Samaila, A.; Bindawa, M.I.; Taşkın Tok, T. Synthesis, antifungal activity and in silico ADMET studies of benzyl alcohol derivatives. İstanbul Journal of Pharmacy, [Publisher Location], v. 52, n. 1, p. 47-53, 2022.


Chicago: Author-Date Style

Ogala, Justina Benson, and Yusuf Hassan and Abdullahi Samaila and Murtala Isah Bindawa and Tuğba Taşkın Tok. 2022. “Synthesis, antifungal activity and in silico ADMET studies of benzyl alcohol derivatives.” İstanbul Journal of Pharmacy 52, no. 1: 47-53. https://doi.org/10.26650/IstanbulJPharm.2022.958484


Chicago: Humanities Style

Ogala, Justina Benson, and Yusuf Hassan and Abdullahi Samaila and Murtala Isah Bindawa and Tuğba Taşkın Tok. “Synthesis, antifungal activity and in silico ADMET studies of benzyl alcohol derivatives.” İstanbul Journal of Pharmacy 52, no. 1 (May. 2024): 47-53. https://doi.org/10.26650/IstanbulJPharm.2022.958484


Harvard: Australian Style

Ogala, JB & Hassan, Y & Samaila, A & Bindawa, MI & Taşkın Tok, T 2022, 'Synthesis, antifungal activity and in silico ADMET studies of benzyl alcohol derivatives', İstanbul Journal of Pharmacy, vol. 52, no. 1, pp. 47-53, viewed 12 May. 2024, https://doi.org/10.26650/IstanbulJPharm.2022.958484


Harvard: Author-Date Style

Ogala, J.B. and Hassan, Y. and Samaila, A. and Bindawa, M.I. and Taşkın Tok, T. (2022) ‘Synthesis, antifungal activity and in silico ADMET studies of benzyl alcohol derivatives’, İstanbul Journal of Pharmacy, 52(1), pp. 47-53. https://doi.org/10.26650/IstanbulJPharm.2022.958484 (12 May. 2024).


MLA

Ogala, Justina Benson, and Yusuf Hassan and Abdullahi Samaila and Murtala Isah Bindawa and Tuğba Taşkın Tok. “Synthesis, antifungal activity and in silico ADMET studies of benzyl alcohol derivatives.” İstanbul Journal of Pharmacy, vol. 52, no. 1, 2022, pp. 47-53. [Database Container], https://doi.org/10.26650/IstanbulJPharm.2022.958484


Vancouver

Ogala JB, Hassan Y, Samaila A, Bindawa MI, Taşkın Tok T. Synthesis, antifungal activity and in silico ADMET studies of benzyl alcohol derivatives. İstanbul Journal of Pharmacy [Internet]. 12 May. 2024 [cited 12 May. 2024];52(1):47-53. Available from: https://doi.org/10.26650/IstanbulJPharm.2022.958484 doi: 10.26650/IstanbulJPharm.2022.958484


ISNAD

Ogala, JustinaBenson - Hassan, Yusuf - Samaila, Abdullahi - Bindawa, MurtalaIsah - Taşkın Tok, Tuğba. “Synthesis, antifungal activity and in silico ADMET studies of benzyl alcohol derivatives”. İstanbul Journal of Pharmacy 52/1 (May. 2024): 47-53. https://doi.org/10.26650/IstanbulJPharm.2022.958484



TIMELINE


Submitted28.06.2021
Accepted20.01.2022
Published Online28.04.2022

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