Determining the Interaction Behavior of Calf Thymus DNA with Anastrozole in the Presence of Histone H1: Spectroscopies and Cell Viability of MCF-7 Cell Line Investigations

Zare-Feizabadi, Najmeh; Amiri-Tehranizadeh, Zeinab; Sharifi-Rad, Atena; Mokaberi, Parisa; Nosrati, Niknaz; Hashemzadeh, Fatemeh; Rahimi, Hamid Reza; Saberi, Mohammad Reza; Chamani, Jamshidkhan

doi:10.1089/dna.2021.0052

Cited by 81 publications

(27 citation statements)

References 32 publications

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“…Alignment of laboratory results and bioinformatics simulations can increase the reliability of studies. Application of molecular modeling in the study of Zare-Feizabadi et al ( 2021 ) in the interaction of calf thymus DNA (ct DNA) with anastrozole (which is acknowledged as an antineoplastic drug), supported and confirmed anti-cancer results of anastrozole use on MCF 7 cell line (Zare-Feizabadi et al 2021 ). TLR2 represents a double-edged sword whose role in cancer must be carefully understood in order to launch effective therapies.…”

Section: Discussionmentioning

confidence: 87%

A Novel Multiepitope Vaccine Against Bladder Cancer Based on CTL and HTL Epitopes for Induction of Strong Immune Using Immunoinformatics Approaches

Jahangirian

Jamal

Nouroozi

et al. 2022

Int J Pept Res Ther

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Bladder cancer is well-known cancer in two forms of muscle-invasive and non-muscle-invasive bladder cancer which is responsible for annual deaths worldwide. Common therapies methods are somewhat successful; however, these methods have the limitations such as the side effects of chemotherapy which necessitate the requirement for new preventive methods against bladder cancer. Hence, we explain a novel designed multi-epitope vaccine against bladder cancer using the immunoinformatics tool. Three well-known BLCAP, PRAM, and BAGE4 antigens were evaluated due to most repetitive CTL and HTL epitopes binding. IFNγ and IL10 inducer potential of selected epitopes were investigated, as well as liner and conformational B-cell epitopes. Human beta-defensin 3 and PADRE sequence were added to construct as adjuvants, along with EAAAK, AAY, and GGGS linkers to fuse CTL and HTL epitopes. Results showed this construct encodes a soluble, non-toxic, and non-allergic protein with 70 kDa molecular weight. Modeled 3D structure of vaccine was docked whit Toll-Like Receptors (TLR) of 7/8. Docking, molecular dynamics simulation and MMBPSA analysis confirmed stability of vaccine-TLR complexes. The immunogenicity showed this construct could elicit humoral and cellular immune responses. In silico and immunoinformatics evaluations suggest that this construct is a recombinant candidate vaccine against bladder cancer. Supplementary Information The online version contains supplementary material available at 10.1007/s10989-022-10380-7.

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Section: Discussionmentioning

confidence: 87%

A Novel Multiepitope Vaccine Against Bladder Cancer Based on CTL and HTL Epitopes for Induction of Strong Immune Using Immunoinformatics Approaches

Jahangirian

Jamal

Nouroozi

et al. 2022

Int J Pept Res Ther

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“…[27] Emission spectroscopy is a very useful tool for the study of the optical property of any material. [28][29][30] The emission spectrum of the ZnO NRs is shown in Figure 3(a). The used excitation wavelength is 350 nm.…”

Section: Methodsmentioning

confidence: 99%

Exciton–tryptophan coupling pulse behaviour along with corona formation, binding analysis, and interaction study of ZnO nanorod–serum albumin protein bioconjugate

Bhunia¹,

Jha

Saha

2022

Luminescence

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The bioconjugate of bovine serum albumin (BSA) and zinc oxide nanorods (ZnO NRs) is investigated to explore the behaviour of the tryptophan (Trp)-exciton coupling and corona formation. The pulse like nature of the coupled system between Trp of BSA and exciton of ZnO NRs has been observed after analysis of the optical parameters such as refractive index, susceptibility, and optical dielectric constant. The time constant for tryptophan, exciton surface binding (t 1 ) and reorganization (t 2 ) are found to be (t 1 ) 8 min, 7 min and (t 2 ) 150 min, 114.5 min, respectively. The close proximity binding of BSA with ZnO NRs via tryptophan as well as exciton is responsible for bioconjugate formation. The aggregated structure of BSA is observed from smallangle X-ray scattering study in interaction with ZnO NRs. The change in secondary structure and tertiary deformation of the serum protein have been studied from Fourier transform infrared and emission quenching analyses. The number of binding sites (n) signified to the enhancement of the cooperative binding. The binding has been found to be endothermic and favoured using unfavourable positive enthalpy with a favourable entropy change from the result of the isothermal titration calorimetry.

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“…With the development of pharmacotherapy, it is crucial to comprehend the interaction between drugs and target molecules [13]. Various interactions, including hydrogen bonding and hydrophobic interactions, have been shown to be related to the maintenance of receptor conformation and the binding affinity between ligand and receptor [14][15][16]. The conformation simulation of ligand-receptor binding based on computational chemistry has been widely used in the study of pharmacodynamics and pharmacokinetics [17,18].…”

Section: Introductionmentioning

confidence: 99%

The Molecular Mechanism of Traditional Chinese Medicine Prescription: Gu‐tong Formula in Relieving Osteolytic Bone Destruction

Chang

Jiang

Jin

et al. 2022

BioMed Research International

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Bone metastasis is a common complication in patients with advanced tumors, causing pain and bone destruction and affecting their quality of life. Typically, complementary and alternative medicine (CAM), with unique theoretical guidance, has played key roles in the treatment of tumor-related diseases. Gu-tong formula (GTF), as a representative prescription of traditional Chinese medicine, has been demonstrated to be an effective clinical medication for the relief of cancer pain. However, the molecular mechanism of GTF in the treatment of osteolytic metastasis is still unclear. Herein, we employ network pharmacology and molecular dynamics methods to uncover the potential treatment mechanism, indicating that GTF can reduce the levels of serum IL6 and TGFB1 and thus limit the scope of bone cortical damage. Among the active compounds, sesamin and deltoin can bind stably with IL6 and TGFB1, respectively, and have the potential to become anti-inflammatory and anticancer drugs. Although the reasons for the therapeutic effect of GTF are complex and comprehensive, this work provides biological plausibility in the treatment of osteolytic metastases, which has a guiding significance for the treatment of cancer pain with CAM.

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Determining the Interaction Behavior of Calf Thymus DNA with Anastrozole in the Presence of Histone H1: Spectroscopies and Cell Viability of MCF-7 Cell Line Investigations

Cited by 81 publications

References 32 publications

A Novel Multiepitope Vaccine Against Bladder Cancer Based on CTL and HTL Epitopes for Induction of Strong Immune Using Immunoinformatics Approaches

A Novel Multiepitope Vaccine Against Bladder Cancer Based on CTL and HTL Epitopes for Induction of Strong Immune Using Immunoinformatics Approaches

Exciton–tryptophan coupling pulse behaviour along with corona formation, binding analysis, and interaction study of ZnO nanorod–serum albumin protein bioconjugate

The Molecular Mechanism of Traditional Chinese Medicine Prescription: Gu‐tong Formula in Relieving Osteolytic Bone Destruction

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