Therapeutic properties and molecular docking study of some phenolic compounds as anti-human lung cancer potential: A biochemical approach |
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Authors: | Hongqing Wen Lei Wang Kareem Morsy Hamida Hamdi Ayman E. El-Kenawy Attalla F. El-kott |
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Affiliation: | 1. Pulmonary and Critical Care Medicine, Northwest University Affiliated Hospital/Xi'an No.3 Hospital, Xi'an, Shaanxi, China;2. Department of Respiratory and Critical Care Medicine, Tianjin Chest Hospital, Tianjin City, China;3. Department of Biology, College of Science, King Khalid University, Abha, Saudi Arabia;4. Department of Biology, Faculty of Science, Taif University, Taif, Saudi Arabia Department of Zoology, Faculty of Science, Cairo University, Cairo, Egypt;5. Department of Pathology, College of Medicine, Taif University, Taif, Saudi Arabia |
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Abstract: | Chloroxine (5,7-dichloro-8-hydroxyquinoline) is a molecule utilized in some shampoos for the therapy of seborrheic dermatitis of the scalp and dandruff. In this study, we investigated the inhibition effects of 5,7-dichloro-8-hydroxyquinoline and methyl 3,4,5-trihydroxybenzoate compounds on the 3-hydroxy-3-methylglutaryl coenzyme-A (HMG-CoA Reductase) and urease enzymes. We have obtained results for the HMG-CoA Reductase and urease enzymes at the micromolar level. In our study, inhibition result of 5,7-dichloro-8-hydroxyquinoline and Methyl 3,4,5-trihydroxybenzoate on HMG-CoA reductase showed lower values 2.28 ± 0.78 and 33.25 ± 5.04 µg/ml, respectively. Additionally, inhibition result of 5,7-dichloro-8-hydroxyquinoline and methyl 3,4,5-trihydroxybenzoate on urease showed lower values 6.18 ± 1.38 and 8.51 ± 1.35 µg/ml, respectively. Molecular docking calculations were made for their biological activities were compared. In the present work, the structures of the related compounds ( 1 and 2 ) were drawn using Gaussian 09 software and done geometry optimization at DFT/B3LYP/6-31G* basis set with aforementioned program. Cytotoxicity potential of these compounds against human lung cancer demonstrated that these compounds had good cytotoxic effects. Both compounds significantly decreased lung cell viability from low doses. In addition, 100 µM dose of all compounds caused significant reductions in lung cell viability. In general, we can say that of the two tested compounds, 5,7-dichloro-8-hydroxyquinoline and methyl 3,4,5-trihydroxybenzoate have cytotoxic effects in all cell types, and this effect is particularly strong in lung cells. Activities were performed at concentrations of 10, 20, 50, 70, and 100 µl and we achieved good results. Lung cell viability (%) value was better at 100 µl concentration and IC50 of them were 54.28 and 48.05 µM. |
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Keywords: | 5,7-dichloro-8-hydroxyquinoline COVID-19 lung cancer methyl 3,4,5-trihydroxybenzoate molecular modeling |
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