<i>In-silico</i>strategies for identification of potent inhibitor for MMP-1 to prevent metastasis of breast cancer

Priya, V. Shunmuga; Pradiba, Dhinakararajan; Aarthy, Murali; Achary, Anant; Vasanthi, Mani

doi:10.1080/07391102.2020.1810776

Cited by 10 publications

(9 citation statements)

References 66 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[27,28] Similar with our study, quercetin and wogonin showed interaction in several amino acid residues, which were SER239, VAL215, TYR240, ASN180, PRO238, ALA182, and GLU219 [27]. The amino acid residue Glu219 was reported as catalytic sites of MMP1 protein [29]. Inhibition of flavonoid compounds in catalytic sites indicated a proper inhibitor for MMP1 and prevented collagen degradation and cell proliferation.…”

Section: Discussionsupporting

confidence: 85%

See 1 more Smart Citation

Phaleria macrocarpa Flavonoid as a Potent MMP-1 Inhibitor for Endometriosis Therapy: In silico Study

Maharani

Sutrisno

2022

a-jhr

View full text Add to dashboard Cite

Introduction: Endometriosis is a gynaecological disorder in women and causes infertility. Several therapeutic were developed to reduce endometriosis cases, one of them was matrix metalloproteinase (MMP) inhibitor. This study investigated the potential activity of the flavonoids in Phaleria macrocarpa fruit as MMP1 inhibitors for endometriosis. Methods: In silico modelling was used in this study. Six flavonoid structures were retrieved from PubChem NCBI database. A targeted protein, MMP1 was taken out from Protein Data Bank with ID 1CGE and predicted the active sites. Six flavonoids and MMP1 was interacted by molecular docking using Molegro virtual Docker version 5 and analyzed using PyMol 2.2 and Discovery Studio version 21.1.1. Three-dimensional complex structure of flavonoids – MMP1 showed interaction in the same active sites and performed an amino acid residue Glu219 as catalytic site. Results: Six flavonoids of Phaleria macrocarpa were divided into two patterns and generated varied binding energy. Glycitin and Catechin 7-O-beta-D-xyloside showed low score of binding energy and depicted similar structure with four aromatic rings. 8-Prenylnaringenin performed lower binding energy than naringenin, eriodictyol, and 5-O-methylgenistein. Conclusion: In silico analysis suggested that six flavonoids compounds is potent as MMP1 inhibitor and might be interfered endometriosis pathophysiology. In vivo and in vivo investigations are required for further analysis.

show abstract

Section: Discussionsupporting

confidence: 85%

“…Matrix metalloproteinase was a protease that degrading collagen or fibrinogen. Matrix metalloproteinase also key protein for cell proliferation [27][28][29]…”

Section: Discussionmentioning

confidence: 99%

Phaleria macrocarpa Flavonoid as a Potent MMP-1 Inhibitor for Endometriosis Therapy: In silico Study

Maharani

Sutrisno

2022

a-jhr

View full text Add to dashboard Cite

show abstract

“…Generally, an elevated level of MMP expressed often signifies a poorer prognosis and a lower chance of survivability [ 77 ]. For example, elevated levels of MMP-1 are indicative of advanced breast cancer and signifies poor prognosis [ 78 , 79 ]. This feature is also common, particularly with the overexpression of gelatinases [ 80 , 81 ].…”

Section: Matrix Metalloproteinasesmentioning

confidence: 99%

“…MMP-1 belongs to the collagenase family of MMPs, and it cleaves several substrates such as fibrillar and nonfibrillar collagen types I, II, III, VI, VII, VIII, and X, laminin, casein, serpin, and MMPs -1, -2, and -9 [ 52 ]. Elevated MMP-1 activity has been reported to contribute to poor prognosis outcomes in breast cancers [ 78 , 79 ]. It is also responsible for events during EMT that facilitate cancer cell migration and invasion.…”

Section: Matrix Metalloproteinasesmentioning

confidence: 99%

“…It is also responsible for events during EMT that facilitate cancer cell migration and invasion. The movement of cancer cells is facilitated by channels formed in the ECM that is regulated by MMP-1 activity [ 78 ]. Aside from its role in ECM degradation, MMP-1 can activate latent molecules to promote downstream prooncogenic signaling pathways-related proteins such as VEGF, EGF, and CXCL-12, which consequently activate metabolic-related transcription factors and pathways involved in cancer, including hypoxia-inducible factor-1 (HIF-1), MAPK, and extracellular-signal-regulated kinase (ERK) pathways [ 90 , 91 ].…”

Section: Matrix Metalloproteinasesmentioning

confidence: 99%

See 1 more Smart Citation

Matrix Metalloproteinases in Chemoresistance: Regulatory Roles, Molecular Interactions, and Potential Inhibitors

Sim

Poh

Guad

et al. 2022

Journal of Oncology

View full text Add to dashboard Cite

Cancer is one of the major causes of death worldwide. Its treatments usually fail when the tumor has become malignant and metastasized. Metastasis is a key source of cancer recurrence, which often leads to resistance towards chemotherapeutic agents. Hence, most cancer-related deaths are linked to the occurrence of chemoresistance. Although chemoresistance can emerge through a multitude of mechanisms, chemoresistance and metastasis share a similar pathway, which is an epithelial-to-mesenchymal transition (EMT). Matrix metalloproteinases (MMPs), a class of zinc and calcium-chelated enzymes, are found to be key players in driving cancer migration and metastasis through EMT induction. The aim of this review is to discuss the regulatory roles and associated molecular mechanisms of specific MMPs in regulating chemoresistance, particularly EMT initiation and resistance to apoptosis. A brief presentation on their potential diagnostic and prognostic values was also deciphered. It also aimed to describe existing MMP inhibitors and the potential of utilizing other strategies to inhibit MMPs to reduce chemoresistance, such as upstream inhibition of MMP expressions and MMP-responsive nanomaterials to deliver drugs as well as epigenetic regulations. Hence, manipulation of MMP expression can be a powerful tool to aid in treating patients with chemo-resistant cancers. However, much still needs to be done to bring the solution from bench to bedside.

show abstract

Resveratrol in breast cancer treatment: from cellular effects to molecular mechanisms of action

Behroozaghdam

Dehghani

Zabolian

et al. 2022

Cell. Mol. Life Sci.

View full text Add to dashboard Cite

In-silicostrategies for identification of potent inhibitor for MMP-1 to prevent metastasis of breast cancer

Cited by 10 publications

References 66 publications

Phaleria macrocarpa Flavonoid as a Potent MMP-1 Inhibitor for Endometriosis Therapy: In silico Study

Phaleria macrocarpa Flavonoid as a Potent MMP-1 Inhibitor for Endometriosis Therapy: In silico Study

Matrix Metalloproteinases in Chemoresistance: Regulatory Roles, Molecular Interactions, and Potential Inhibitors

Resveratrol in breast cancer treatment: from cellular effects to molecular mechanisms of action

Contact Info

Product

Resources

About