scholarly journals Molecular docking of bioactive compounds derived from Moringa oleifera with p53 protein in the apoptosis pathway of oral squamous cell carcinoma

2021 ◽  
Vol 19 (4) ◽  
pp. e46
Author(s):  
Sonali Rath ◽  
Manaswini Jagadeb ◽  
Ruchi Bhuyan

Moringa oleifera is nowadays raising as the most preferred medicinal plant, as every part of the moringa plant has potential bioactive compounds which can be used as herbal medicines. Some bioactive compounds of M. oleifera possess potential anti-cancer properties which interact with the apoptosis protein p53 in cancer cell lines of oral squamous cell carcinoma. This research work focuses on the interaction among the selected bioactive compounds derived from M. oleifera with targeted apoptosis protein p53 from the apoptosis pathway to check whether the bioactive compound will induce apoptosis after the mutation in p53. To check the toxicity and drug-likeness of the selected bioactive compound derived from M. oleifera based on Lipinski’s Rule of Five. Detailed analysis of the 3D structure of apoptosis protein p53. To analyze protein’s active site by CASTp 3.0 server. Molecular docking and binding affinity were analyzed between protein p53 with selected bioactive compounds in order to find the most potential inhibitor against the target. This study shows the docking between the potential bioactive compounds with targeted apoptosis protein p53. Quercetin was the most potential bioactive compound whereas kaempferol shows poor affinity towards the targeted p53 protein in the apoptosis pathway. Thus, the objective of this research can provide an insight prediction towards M. oleifera derived bioactive compounds and target apoptosis protein p53 in the structural analysis for compound isolation and in-vivo experiments on the cancer cell line.

2016 ◽  
Vol 6 (12) ◽  
pp. 1013-1017
Author(s):  
G Dundy ◽  
H Kumar ◽  
A Singh ◽  
A Chandarakant

Background: Mutation of p53 gene is one of the most common events in oral carcinogenesis. Accumulation of p53 protein has also been detected in premalignant lesions.Materials and Methods:  This study included 40 biopsy samples, which were received in department of pathology, Sarojini Naidu Medical College, Agra, to ascertain p53 expression by immunohistochemically, in patients with oral squamous cell carcinomas and to correlate its expression with histological grade, different sites in oral cavity and tobacco intake/smoking habits.Results: Out of 40 biopsies of oral mucosa, 03 showed normal oral mucosa and 37 were diagnosed as squamous cell carcinoma (SCC), most patients were in 5th and 6th decade and majority (86.5%) of oral SCC were males with buccal mucosa being the most common site. There was a statistically significant difference in p53 expression between oral SCC and normal oral mucosa (p value <0.05). Of total 37 cases, 12 cases were well differentiated type, 16 moderately differentiated and 09 of poorly differentiated type of SCC. In each category, about two thirds were positive for p53 staining. Out of total 37 cases of oral SCC, 64.9% were positive and 35.1% were negative for p53 expression, 34 cases had positive history of tobacco intake/smoking habits, of which 23 cases were positive while 11 cases were negative for p53 staining.Conclusion: Abnormal p53 protein was detected in 64.9% of oral squamous cell carcinoma, but not in normal oral mucosa. p53 expression was associated with malignant transformation of oral mucosa. 


2020 ◽  
Vol 40 (3) ◽  
Author(s):  
Liang Jiang ◽  
Jing Xiao

Abstract Oral squamous cell carcinoma (OSCC) is the most common malignancy in the oral cavity, which accounts for &gt;90% of all diagnosed oral cancers. 2-phenylethynesulfonamide (PES) was known as a selective heat shock protein 70 (Hsp70) function inhibitor, which induced cytotoxic effects on various tumor cell types, but showed to be less toxic to normal cells. However, no associated evaluation of PES on OSCC was found. In the present study, the proliferation of OSCC cells treated with PES was analyzed using a CCK-8 assay. The effects of PES on the cell cycle and apoptosis of OSCC cells were determined by flow cytometric analyses. Expression of associated protein was determined by Western blot analysis. The results of the present study showed that PES inhibited the proliferation of OSCC cell lines in vivo and in vitro. PES induced apoptosis and arrested the cell cycle of OSCC cells. PES inhibited the expression of X-linked inhibitor of apoptosis protein (XIAP), baculoviral IAP repeat containing 2 (c-IAP1), phosphorylated AKT (p-AKT), and phosphorylated extracellular signal-regulated kinase (p-ERK). Additionally, knockdown of Hsp70 enhanced the effects of PES. By contrast, overexpression of Hsp70 attenuated the inhibitory effects of PES on cell viability. PES disrupted the interaction between Hsp70 and XIAP. In conclusion, the present study demonstrated that PES suppresses the growth of OSCC cells through Hsp70-dependent mechanism.


2021 ◽  
Vol 17 (1) ◽  
pp. 206-211
Author(s):  
JH Shazia Fathima ◽  

Matrix metalloproteinase protein-2 (MMP-2) is linked to the human oral squamous cell carcinoma. Therefore, it is of interest to design new inhibitors for MMP-2 to combat the disease. Thus, we document the molecular docking features of Aristolochic acid, Cryptopleurine, Epipodophyllotoxin, and Fagaronine with MMP-2 for further consideration.


Oral Oncology ◽  
1999 ◽  
Vol 35 (1) ◽  
pp. 45-55 ◽  
Author(s):  
M Partridge ◽  
S Kiguwa ◽  
G Emilion ◽  
S Pateromichelakis ◽  
R A'Hern ◽  
...  

Author(s):  
Xu Lan ◽  
Li Liu ◽  
Guangyu Wu

IntroductionNevadensin has a variety of pharmacological effects, including effects of anti-mycobacterium ‎tuberculosis, antitussive, anti-hypertensive, anti-inflammatory, and free radical-scavenging ‎activities. In this study, we investigated for their anticholinergics, antidiabetic, and anti-‎human oral squamous cell carcinoma potentials for nevadensin. ‎Material and methodsThe antioxidant activities of nevadensin were elucidated by using various bioanalytical assays. ‎On the other hand, IC50 values were calculated for acetylcholine esterase, α-glucosidase ‎inhibition effects of nevadensin. For determining of anti-human oral squamous cell carcinoma ‎properties of nevadensin, MTT assay was used on HUVEC, HSC-3, HSC-4, and Ca9-22 cell ‎lines. The molecular docking method used to compare the biological activities of the ‎nevadensin molecule against enzymes was used. Afterwards, the ADME/T analysis was ‎performed to investigate the drug availability of the nevadensin molecule and the obtained ‎parameters from ADME/T analysis were examined.‎ResultsThe cell viability of nevadensin was very low against human oral squamous cell carcinoma cell ‎lines without any cytotoxicity on the human normal (HUVEC) cell line. The IC50 of the ‎nevadensin against HSC-3, HSC-4, and Ca9-22 were 316, 273, and 399 µg/mL, respectively. ‎Thereby, the best cytotoxicity results and anti-human oral squamous cell carcinoma potentials ‎of our nevadensin was observed in the case of the HSC-4 cell line. ‎ConclusionsMaybe the anti-human lung carcinoma properties of nevadensin are related to their antioxidant ‎effects. ‎


Sign in / Sign up

Export Citation Format

Share Document