Combined spectroscopy and molecular modeling studies on the binding of galbanic acid and MMP9

Kiani, Amir; Almasi, Khadijeh; Shokoohinia, Yalda; Sadrjavadi, Komail; Nowroozi, Amin; Shahlaei, Mohsen

doi:10.1016/j.ijbiomac.2015.08.005

Cited by 13 publications

(8 citation statements)

References 33 publications

(43 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Metalloproteinase 9 is an important component of the TME and has been known to be related to invasion and metastasis. Previous studies showed that invasiveness of HCC was induced by upregulation of MMP9 . We also identified that MMP9 was more highly expressed in HCC, and the expression status was decreased in the adjacent normal tissue.…”

Section: Discussionsupporting

confidence: 50%

See 1 more Smart Citation

Interaction between the tumor microenvironment and resection margin in different gross types of hepatocellular carcinoma

Whan

Sohn

Kim

et al. 2019

J of Gastro and Hepatol

View full text Add to dashboard Cite

Background and Aim There is no consensus regarding the safe resection margin in hepatocellular carcinoma (HCC). Several studies reported that different gross types require different resection margins. We investigated the changes in the tumor microenvironment (TME) in different gross types of HCC. Methods We selected tumor tissue and normal tissue 1 and 2 cm away from the HCC. We analyzed the expression status of TME genes and the correlation between TME genes and the effective resection margin. We further divided the patients into two groups: group 1 included expanding and vaguely nodular types, whereas group 2 included nodular with perinodular extension, multinodular confluent, and infiltrative types. Results Group 2 showed 27% and 45% 5‐year disease‐free survival (DFS) and overall survival (OS) rates, respectively. Group 2 was a significant prognostic factor for DFS and OS. In cases with a resection margin of less than 1 cm or more than 2 cm, there were no differences in recurrence and survival rate between the two groups. Group 1 patients who had a resection margin that ranged from 1 to 2 cm showed significantly better DFS and OS rates. β‐Catenin and matrix metalloproteinase 9 expression was significantly decreased and that of E‐cadherin was significantly increased according to the resection margin in group 1. Conclusions Patients with expanding and vaguely nodular HCC may safely undergo surgical resection with a narrow resection margin, and patients with the other gross types must undergo surgical resection with more than a 2‐cm resection margin because of their TME conditions.

show abstract

Section: Discussionsupporting

confidence: 50%

“…Previous studies showed that invasiveness of HCC was induced by upregulation of MMP9. [26][27][28] We also identified that MMP9 was more highly expressed in HCC, and the expression status was decreased in the adjacent normal tissue. Similar to changes in β-catenin and E-cadherin, this change was significant only in group 1.…”

Section: Discussionmentioning

confidence: 95%

Interaction between the tumor microenvironment and resection margin in different gross types of hepatocellular carcinoma

Whan

Sohn

Kim

et al. 2019

J of Gastro and Hepatol

View full text Add to dashboard Cite

show abstract

“…In support of this, combined studies of spectroscopy and molecular modeling demonstrated that galbanic acid has the ability to bind strongly to MMP‐9, even if the most favorable binding energy generated during the docking of these molecules reaches a value of −1.74 kcal/mol (−7.27 kJ/mol). [ 48 ]…”

Section: Resultsmentioning

confidence: 99%

Interactions between procyanidin oligomers and the active form of matrix metalloproteinase‐7: A theoretical insight

Mendoza–Wilson

Balandrán‐Quintana

2020

Int J of Quantum Chemistry

View full text Add to dashboard Cite

The objective of this study was to determine the sites and modes of interaction of the most common oligomers of B‐type procyanidins (PCs) with the active form of the matrix metalloproteinase‐7 (MMP‐7) and some molecular properties of the PCs by using theoretical methods. These data may provide useful insights into the ability of PCs to act as selective MMP‐7 inhibitors. Some stereoisomers that predominated in the analyzed PCs (PB2, PC1, tetramer) could act as selective inhibitors of MMP‐7 due to their interaction with amino acids of the subsites S2 and/or S1′ in the active site, and with some specific amino acids of MMP‐7 that bind to cholesterol sulfate to promote proteolysis of the cell membrane. Hydrogen bonding was the main interaction of PB2 and PC1 with MMP‐7, while in the tetramer, the van der Waals interactions prevailed. The determination of molecular properties such as chemical reactivity and stability by the highest occupied molecular orbital and lowest unoccupied molecular orbital gap, revealed that oligomers of PCs acquired very stable poses in their docking with MMP‐7. Polarizability seems to be an important factor for PCs with large molecular volume (PC1, tetramer) to establish contact with amino acids of narrow subsites in the active site (S2, S1′) and amino acids located outside the active site.

show abstract

“…Coumarins have various biological properties related to their chemical structure [ 25 , 26 , 27 ]. Some coumarins have vasorelaxant activity in coronary vessels and some other showed hypotensive [ 22 ], antiviral [ 28 ], antileishmanial [ 29 ] anti-inflammatory [ 30 ] and antispasmodic [ 31 ] effects. Furanocoumarins are also widely used in the treatment of leucoderma and psoriasis due to their photosensitivity properties [ 32 , 33 ].…”

Section: Introductionmentioning

confidence: 99%

Potential Anticancer Properties of Osthol: A Comprehensive Mechanistic Review

et al. 2018

Self Cite

View full text Add to dashboard Cite

Cancer is caused by uncontrolled cell proliferation which has the potential to occur in different tissues and spread into surrounding and distant tissues. Despite the current advances in the field of anticancer agents, rapidly developing resistance against different chemotherapeutic drugs and significantly higher off-target effects cause millions of deaths every year. Osthol is a natural coumarin isolated from Apiaceaous plants which has demonstrated several pharmacological effects, such as antineoplastic, anti-inflammatory and antioxidant properties. We have attempted to summarize up-to-date information related to pharmacological effects and molecular mechanisms of osthol as a lead compound in managing malignancies. Electronic databases, including PubMed, Cochrane library, ScienceDirect and Scopus were searched for in vitro, in vivo and clinical studies on anticancer effects of osthol. Osthol exerts remarkable anticancer properties by suppressing cancer cell growth and induction of apoptosis. Osthol’s protective and therapeutic effects have been observed in different cancers, including ovarian, cervical, colon and prostate cancers as well as chronic myeloid leukemia, lung adenocarcinoma, glioma, hepatocellular, glioblastoma, renal and invasive mammary carcinoma. A large body of evidence demonstrates that osthol regulates apoptosis, proliferation and invasion in different types of malignant cells which are mediated by multiple signal transduction cascades. In this review, we set spotlights on various pathways which are targeted by osthol in different cancers to inhibit cancer development and progression.

show abstract

Combined spectroscopy and molecular modeling studies on the binding of galbanic acid and MMP9

Cited by 13 publications

References 33 publications

Interaction between the tumor microenvironment and resection margin in different gross types of hepatocellular carcinoma

Interaction between the tumor microenvironment and resection margin in different gross types of hepatocellular carcinoma

Interactions between procyanidin oligomers and the active form of matrix metalloproteinase‐7: A theoretical insight

Potential Anticancer Properties of Osthol: A Comprehensive Mechanistic Review

Contact Info

Product

Resources

About