2019
DOI: 10.1016/j.jtbi.2019.01.020
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Molecular docking of anti-inflammatory drug diclofenac with metabolic targets: Potential applications in cancer therapeutics

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Cited by 27 publications
(12 citation statements)
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“…Diclofenac, a non-steroidal anti-inflammatory drug, used in the treatment of pain in rheumatoid arthritis, migraine, and post-operative pain, has an established role in oncological practice in the treatment of cancer-related pain and as a topical treatment for actinic keratosis, which is commonly viewed as a pre-cancerous lesion. The treatment of various types of cancer cell lines like fibrosarcoma [28], colorectal cancer [29], neuroblastoma [30], and ovarian cancer [31,32] showed a reduced growth rate and low levels of vascularization.…”
Section: Introductionmentioning
confidence: 99%
“…Diclofenac, a non-steroidal anti-inflammatory drug, used in the treatment of pain in rheumatoid arthritis, migraine, and post-operative pain, has an established role in oncological practice in the treatment of cancer-related pain and as a topical treatment for actinic keratosis, which is commonly viewed as a pre-cancerous lesion. The treatment of various types of cancer cell lines like fibrosarcoma [28], colorectal cancer [29], neuroblastoma [30], and ovarian cancer [31,32] showed a reduced growth rate and low levels of vascularization.…”
Section: Introductionmentioning
confidence: 99%
“…These drug candidates employed their oxygen and hydroxyl groups to form hydrogen bonds with the active residues of the viral proteases, whereas carbon rings and other oxy groups established hydrophobic connections to stabilize the docked complex. The formation of hydrogen bonds with the active pocket by the ligand caused functional alterations in the target viral receptor, hence disrupting their enzymatic activity, as evident from the following study (Pandey et al, 2019). Moreover, hydrogen bonding amplifies the binding strength of ligand attachment to the receptor, compared to other types of bonds (Raschka et al, 2018).…”
Section: Discussionmentioning
confidence: 85%
“…The test ligands that have binding energy close to pepstatin are turgorin with a binding energy of 7,480 kcal/mol and K d 3289177.500 pM, then based on the binding energy respectively, D-glucuronic acid with a binding energy of 6.219 kcal/mol and Kd 27632016.000 pM, gallic acid with a binding energy of 6.053 kcal/mol and Kd 36567240.000 pM, L-norepinephrine with a binding energy of 5.770 kcal/mol and Kd 58956804.000 pM, mimosine with a binding energy of 5.599 kcal/mol and Kd 78682576.000 pM, L-ascorbic acid with a binding energy of 5.390 kcal/mol and Kd 111963792.000 pM, and the lowest binding energy is linolenic acid with a binding energy of 5.168 kcal/mol and Kd 162856752.000. The more positive value of the binding energy indicates stronger bond between the ligand and the target receptor whereas 29,30 . The results of the binding energies are presented in Figure 1.…”
Section: Resultsmentioning
confidence: 99%