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Article ; Online: Simulation and practical investigation of carbonic anhydrase stability in an industrial solvent system of methyl diethanolamine for carbon dioxide capture.

Barzegari, Ebrahim / Ghaedizadeh, Shima / Pourshohod, Aminollah / Zeinali, Majid / Jamalan, Mostafa

Journal of biomolecular structure & dynamics

2024 , Page(s) 1–10

Abstract: Carbonic anhydrase owing to its potential as an industrial biocatalyst for carbon dioxide sequestration from flue gas has attracted considerable attention in solving global warming problems. A large body of research has been conducted to increase the ... ...

Abstract	Carbonic anhydrase owing to its potential as an industrial biocatalyst for carbon dioxide sequestration from flue gas has attracted considerable attention in solving global warming problems. A large body of research has been conducted to increase the thermal stability of carbonic anhydrase from different sources against the harsh operational conditions of CO
Language	English
Publishing date	2024-01-18
Publishing country	England
Document type	Journal Article
ZDB-ID	49157-3
ISSN	1538-0254 ; 0739-1102
ISSN (online)	1538-0254
ISSN	0739-1102
DOI	10.1080/07391102.2024.2305311
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Article ; Online: Tumor-targeted induction of intrinsic apoptosis in colon cancer cells by Lactobacillus plantarum and Lactobacillus rhamnosus strains.

Amin, Mansour / Navidifar, Tahereh / Saeb, Sholeh / Barzegari, Ebrahim / Jamalan, Mostafa

Molecular biology reports

2023 Volume 50, Issue 6, Page(s) 5345–5354

Abstract: Background: Colorectal cancer is one of the widespread and lethal types of malignancies. Recently, antineoplastic attributes of probiotics have attracted lots of attention. Here, we investigated anti-proliferative potential of the non-pathogenic strains ...

Abstract	Background: Colorectal cancer is one of the widespread and lethal types of malignancies. Recently, antineoplastic attributes of probiotics have attracted lots of attention. Here, we investigated anti-proliferative potential of the non-pathogenic strains Lactobacillus plantarum ATCC 14,917 and Lactobacillus rhamnosus ATCC 7469 on human colorectal adenocarcinoma-originated Caco-2 cells. Methods and results: Caco-2 and HUVEC control cells were treated with ethyl acetate extracts of the two Lactobacillus strains to assess cell viability by MTT assay. Annexin/PI staining flow cytometry, and caspase-3, -8 and - 9 activity assays were performed to determine the type of cell death induced in extract-treated cells. Expression levels of apoptosis-related genes were evaluated by RT-PCR. Extracts from both L. plantarum and L. rhamnosus specifically targeted the Caco-2 cells and not HUVEC controls, and significantly affected the viability of the colon cancer cell line in a time- and dose-dependent manner. This effect was shown to occur through activation of the intrinsic apoptosis pathway, as indicated by the increased caspase-3 and - 9 activities. While there are limited and conflicting data about the mechanisms underlying the specific antineoplastic attributes of Lactobacillus strains, we clarified the overall induced mechanism. The Lactobacillus extracts specifically down-regulated the expression of the anti-apoptotic bcl-2 and bcl-xl, and simultaneously up-regulated the pro-apoptotic bak, bad, and bax genes in treated Caco-2 cells. Conclusions: Ethyl acetate extracts of L. plantarum and L. rhamnosus strains could be considered as targeted anti-cancer treatments specifically inducing the intrinsic apoptosis pathway in colorectal tumor cells.
MeSH term(s)	Humans ; Lactobacillus plantarum ; Lacticaseibacillus rhamnosus ; Caco-2 Cells ; Caspase 3/genetics ; Caspase 3/metabolism ; Colonic Neoplasms/drug therapy ; Colorectal Neoplasms ; Lactobacillus ; Apoptosis ; Antineoplastic Agents/pharmacology ; Probiotics/pharmacology
Chemical Substances	ethyl acetate (76845O8NMZ) ; Caspase 3 (EC 3.4.22.-) ; Antineoplastic Agents
Language	English
Publishing date	2023-05-08
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	186544-4
ISSN	1573-4978 ; 0301-4851
ISSN (online)	1573-4978
ISSN	0301-4851
DOI	10.1007/s11033-023-08445-x
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Article ; Online: Combinatorial in silico and in vivo evaluation of immune response elicitation by the affibody Z

Siavoshinia, Leila / Kheirollah, Alireza / Zeinali, Majid / Barzegari, Ebrahim / Jamalan, Mostafa

International immunopharmacology

2021 Volume 101, Issue Pt B, Page(s) 108368

Abstract: Due to the high affinity for binding to target molecules and also other unique attributes, affibodies have a great potential to be used in immunotherapeutic and diagnostic approaches. However, the possibility of undesirable immune response is still a ... ...

Abstract	Due to the high affinity for binding to target molecules and also other unique attributes, affibodies have a great potential to be used in immunotherapeutic and diagnostic approaches. However, the possibility of undesirable immune response is still a great concern. In the current study, we investigated the possible antigenicity, allergenicity and cytotoxicity of the HER2-targeting affibody Z
MeSH term(s)	Allergens ; Animals ; Antibodies ; Cell Survival ; Cloning, Molecular ; Computer Simulation ; Cytokines/genetics ; Cytokines/metabolism ; Epitopes ; Female ; Gene Expression Regulation/drug effects ; Mice ; Mice, Inbred BALB C ; Models, Molecular ; Molecular Mimicry ; Protein Conformation ; Protein Domains ; Receptor, ErbB-2/immunology ; Recombinant Fusion Proteins/immunology
Chemical Substances	Allergens ; Antibodies ; Cytokines ; Epitopes ; Recombinant Fusion Proteins ; ERBB2 protein, human (EC 2.7.10.1) ; Receptor, ErbB-2 (EC 2.7.10.1)
Language	English
Publishing date	2021-11-29
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	2043785-7
ISSN	1878-1705 ; 1567-5769
ISSN (online)	1878-1705
ISSN	1567-5769
DOI	10.1016/j.intimp.2021.108368
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Article ; Online: Structure-Based Screening to Discover New Inhibitors for Papain-like Proteinase of SARS-CoV-2: An

Jamalan, Mostafa / Barzegari, Ebrahim / Gholami-Borujeni, Fathollah

Journal of proteome research

2020 Volume 20, Issue 1, Page(s) 1015–1026

Abstract: Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) expresses a multifunctional papain-like proteinase (PLpro), which mediates the processing of the viral replicase polyprotein. Inhibition of PLpro has been shown to suppress the viral ... ...

Abstract	Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) expresses a multifunctional papain-like proteinase (PLpro), which mediates the processing of the viral replicase polyprotein. Inhibition of PLpro has been shown to suppress the viral replication. This study aimed to explore new anti-PLpro candidates by applying virtual screening based on GRL0617, a known PLpro inhibitor of SARS coronavirus (SARS-CoV). The three-dimensional (3D) structure of SARS-CoV-2 PLpro was built by homology modeling, using SARS-CoV PLpro as the template. The model was refined and studied through molecular dynamic simulation. AutoDock Vina was then used to perform virtual screening where 50 chemicals with at least 65% similarity to GRL0617 were docked with the optimized SARS-CoV-2 PLpro. In this screening, 5-(aminomethyl)-2-methyl-
MeSH term(s)	Antiviral Agents/adverse effects ; Antiviral Agents/chemistry ; Antiviral Agents/pharmacokinetics ; Antiviral Agents/pharmacology ; Binding Sites ; Chemical and Drug Induced Liver Injury/etiology ; Computer Simulation ; Coronavirus 3C Proteases/antagonists & inhibitors ; Coronavirus 3C Proteases/chemistry ; Coronavirus 3C Proteases/genetics ; Coronavirus 3C Proteases/metabolism ; Drug Evaluation, Preclinical/methods ; Humans ; Microsomes, Liver/drug effects ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Protease Inhibitors/adverse effects ; Protease Inhibitors/chemistry ; Protease Inhibitors/pharmacokinetics ; Protease Inhibitors/pharmacology ; Protein Conformation ; Structure-Activity Relationship
Chemical Substances	Antiviral Agents ; Protease Inhibitors ; 3C-like protease, SARS coronavirus (EC 3.4.22.-) ; 3C-like proteinase, SARS-CoV-2 (EC 3.4.22.-) ; Coronavirus 3C Proteases (EC 3.4.22.28)
Language	English
Publishing date	2020-12-22
Publishing country	United States
Document type	Journal Article
ZDB-ID	2078618-9
ISSN	1535-3907 ; 1535-3893
ISSN (online)	1535-3907
ISSN	1535-3893
DOI	10.1021/acs.jproteome.0c00836
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Zs.A 6189: Show issues

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Article ; Online: 3D structure prediction, dynamic investigation and rational construction of an epitope-masked thermostable bovine hyaluronidase.

Amin, Mansour / Barzegari, Ebrahim / Pourshohod, Aminollah / Zeinali, Majid / Jamalan, Mostafa

International journal of biological macromolecules

2021 Volume 187, Page(s) 544–553

Abstract: Hyaluronidase (HAase) from bovine testes (BTH) has long been used in broad pharmaceutical areas, while it is associated with drawbacks in aspects of solubility, immunogenicity and pharmacokinetics. These issues can be addressed by gaining structural ... ...

Abstract	Hyaluronidase (HAase) from bovine testes (BTH) has long been used in broad pharmaceutical areas, while it is associated with drawbacks in aspects of solubility, immunogenicity and pharmacokinetics. These issues can be addressed by gaining structural insights and designing rational modifications to the enzyme structure, as proposed in this study. A 3D structural model was built for HAase and underwent 40 ns of molecular dynamic simulation to examine its thermostability under normal, melting, and extreme conditions. The enzyme activity of BTH was measured against temperature and pH by kinetic assays. The interaction of bovine HAase with HA and chondroitin was defined by molecular docking. Furthermore, immunogenic properties of the enzyme were explored by immunoinformatics. Thermal effects on bovine HAase structural model and the HAase interactions with its substrates were described. We identified some B- and T-cell epitopes and showed that the protein could be recognized by human immune receptor molecules. Epitope masking by adding polyethylene glycol (PEG) to amine groups of residues presenting on the surface of the protein structure was adopted as a surface modification to enhance pharmacological properties of BTH. Assays showed that PEGylated BTH had higher thermostability and similar activity compared to the native enzyme.
MeSH term(s)	Animals ; Cattle ; Enzyme Stability ; Epitopes, B-Lymphocyte ; Epitopes, T-Lymphocyte ; Hyaluronic Acid/metabolism ; Hyaluronoglucosaminidase/chemistry ; Hyaluronoglucosaminidase/immunology ; Hyaluronoglucosaminidase/pharmacokinetics ; Hydrogen-Ion Concentration ; Kinetics ; Male ; Molecular Docking Simulation ; Polyethylene Glycols/chemistry ; Polyethylene Glycols/pharmacokinetics ; Protein Conformation ; Solubility ; Structure-Activity Relationship ; Substrate Specificity ; Surface Properties ; Temperature ; Testis/enzymology
Chemical Substances	Epitopes, B-Lymphocyte ; Epitopes, T-Lymphocyte ; Polyethylene Glycols (3WJQ0SDW1A) ; Hyaluronic Acid (9004-61-9) ; Hyaluronoglucosaminidase (EC 3.2.1.35)
Language	English
Publishing date	2021-07-21
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	282732-3
ISSN	1879-0003 ; 0141-8130
ISSN (online)	1879-0003
ISSN	0141-8130
DOI	10.1016/j.ijbiomac.2021.07.098
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Zs.B 2374: Show issues

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Article ; Online: Development a novel multiepitope DNA vaccine against human SARS coronavirus-2: an immunoinformatic designing study.

Nemati, Afshin Samimi / Mirzaie, Sako / Masoumian, Mohammad Reza / Sheikhi, Fatemeh / Jamalan, Mostafa

Turkish journal of biology = Turk biyoloji dergisi

2022 Volume 46, Issue 4, Page(s) 263–276

Abstract: Human SARS coronavirus 2 (SARS-CoV-2) causes the current global COVID-19 pandemic. The production of an efficient vaccine against COVID-19 is under heavy investigation. In this study, we have designed a novel multiepitope DNA vaccine against SARS-CoV-2 ... ...

Abstract	Human SARS coronavirus 2 (SARS-CoV-2) causes the current global COVID-19 pandemic. The production of an efficient vaccine against COVID-19 is under heavy investigation. In this study, we have designed a novel multiepitope DNA vaccine against SARS-CoV-2 using reverse vaccinology and DNA vaccine approaches. Applying these strategies led to reduce the time and costs of vaccine development and also improve the immune protective characteristics of the vaccine. For this purpose, epitopes of nucleocapsid, membrane glycoprotein, and ORF8 proteins of SARS-CoV-2 chose as targets for B and T-cell receptors. Accordingly, DNA sequences of selected epitopes have optimized for protein expression in the eukaryotic system. To this end, the Kozak and tissue plasminogen activator sequences were added into the epitope sequences for proper protein expression and secretion, respectively. Furthermore, interleukin-2 and beta-defensin 1 preproprotein sequences were incorporated to the designed DNA vaccine as an adjuvant. Modeling and refinement of fused protein composed of SARS-CoV-2 multiepitope antigens (fuspMA) have performed based on homology modeling of orthologous peptides, then constructed 3D model of fuspMA was more investigated during 50 ns of molecular dynamics simulation. Further bioinformatics predictions demonstrated that fuspMA is a stable protein with acceptable antigenic features and no allergenicity or toxicity characteristics. Finally, the affinity of fuspMA to the MHC I and II and TLRs molecules validated by the molecular docking procedure. In conclusion, it seems the designed multiepitope DNA vaccine could have a chance to be introduced as an efficient vaccine against COVID-19 after more in vivo evaluations.
Language	English
Publishing date	2022-06-23
Publishing country	Turkey
Document type	Journal Article
ZDB-ID	2046470-8
ISSN	1303-6092 ; 1303-6092
ISSN (online)	1303-6092
ISSN	1303-6092
DOI	10.55730/1300-0152.2615
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Article ; Online: The Antifungal Effect of the Fraction Isolated from Allium Hirtifolium Extract on Vaginal Candidiasis in Comparison with Clotrimazole

‪Mansour Amin / Susan Akrami / Maryam Jamalan / Raziyeh Mohammad Jafari / Fatollah Gholami-Borujeni / Fatemeh Maghsodi / Mostafa Jamalan

مجله دانشکده پزشکی اصفهان, Vol 40, Iss 693, Pp 873-

A Double-Blind Clinical Trial Study

2022 Volume 879

Abstract: Background: Candidiasis is an important health problem and one of the most common infections of the female genital tract. The purpose of this study is to evaluate the effect of the formulated antifungal extract of Vaginahil® as a purified and formulated ... ...

Abstract	Background: Candidiasis is an important health problem and one of the most common infections of the female genital tract. The purpose of this study is to evaluate the effect of the formulated antifungal extract of Vaginahil® as a purified and formulated fraction of the ethyl acetate extract of Allium hirtifolium plant in the treatment of candidal vaginitis. Methods: Fractions were prepared from ethylene acetate extract of Allium hirtifolium (mountain shallot) and their MIC against Candida albicans was determined. The most effective fraction with an anti-fungal effect was formulated and named Vaginiheal®. In total 30 women with confirmed vulvovaginal candidiasis infection were divided into two groups, one treated with Vaginiheal® and the other as control group without significant changes in age, education level, and occupation. Vaginiheal® was used to treat 15 women (n = 15) and the control group (n = 15) was treated with Clotrimazole. Findings: The isolated fraction with the greatest antifungal effect had a MIC of 60 μg.ml-1 against Candida albicans. There was no significant difference between the women treated with Vaginiheal® and the group of women treated with Clotrimazole in terms of age, employment status, and pregnancy history. Our obtained results showed, Vaginiheal® treatment can lead to improvement and acceleration of complete treatment, reduction of inflammation, and decreasing of abnormal vaginal secretions in women with vulvovaginal candidiasis compared to the group treated with Clotrimazole. Conclusion: Vaginiheal® should be considered as a new and effective medicinal option in the treatment of women with vulvovaginal candidiasis and its recurrent type.
Keywords	vulvovaginal candidiasis ; candida albicans ; clotrimazole ; allium ; Medicine ; R ; Medicine (General) ; R5-920
Subject code	616
Language	Persian
Publishing date	2022-01-01T00:00:00Z
Publisher	Vesnu Publications
Document type	Article ; Online
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Article ; Online: Specific targeting of HER2-positive human breast carcinoma SK-BR-3 cells by amygdaline-Z

Moradipoodeh, Bahman / Jamalan, Mostafa / Zeinali, Majid / Fereidoonnezhad, Masood / Mohammadzadeh, Ghorban

Molecular biology reports

2020 Volume 47, Issue 9, Page(s) 7139–7151

Abstract: Amygdalin induces apoptotic death in several carcinoma cells. Affibody is an engineered protein with a high affinity for human epidermal receptor 2 (HER2). We assessed the cytotoxic effects of the amygdalin- ... ...

Abstract	Amygdalin induces apoptotic death in several carcinoma cells. Affibody is an engineered protein with a high affinity for human epidermal receptor 2 (HER2). We assessed the cytotoxic effects of the amygdalin-Z
MeSH term(s)	Amygdalin/pharmacology ; Antineoplastic Agents, Immunological/pharmacology ; Breast Neoplasms/drug therapy ; Breast Neoplasms/metabolism ; Breast Neoplasms/pathology ; Drug Delivery Systems ; Female ; Gene Expression Regulation, Neoplastic/drug effects ; Humans ; Immunoconjugates/pharmacology ; MCF-7 Cells ; Receptor, ErbB-2/metabolism ; Single-Chain Antibodies/pharmacology
Chemical Substances	Antineoplastic Agents, Immunological ; Immunoconjugates ; Single-Chain Antibodies ; Amygdalin (214UUQ9N0H) ; ERBB2 protein, human (EC 2.7.10.1) ; Receptor, ErbB-2 (EC 2.7.10.1)
Language	English
Publishing date	2020-09-14
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	186544-4
ISSN	1573-4978 ; 0301-4851
ISSN (online)	1573-4978
ISSN	0301-4851
DOI	10.1007/s11033-020-05782-z
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Article ; Online: Immunological Responses against HER2-targeted Idarubicin-ZHER2 Conjugate in BALB/c Mice.

Siavoshinia, Leila / Jamalan, Mostafa / Zeinali, Majid / Mohammadzadeh, Ghorban

Iranian journal of allergy, asthma, and immunology

2019 Volume 18, Issue 5, Page(s) 501–510

Abstract: Targeting of cancerous cells with a high level of human epidermal growth factor receptor 2 (HER2) expressions by drug immunoconjugates is a new approach for specific delivery of chemotherapeutic agents. Our previous work indicated that idarubicin-ZHER2 ... ...

Abstract	Targeting of cancerous cells with a high level of human epidermal growth factor receptor 2 (HER2) expressions by drug immunoconjugates is a new approach for specific delivery of chemotherapeutic agents. Our previous work indicated that idarubicin-ZHER2 affibody conjugate has a great potential for the treatment of HER2-overexpressing malignant cell lines but possible induced immune response against constructed conjugate was not addressed. In the current study, the possibility of induction of humoral and cellular immune responses against idarubicin-ZHER2 affibody conjugate in BALB/c mice was investigated. For assessment of the induced immune response, prepared and qualified idarubicin-ZHER2 affibody conjugate was administrated intravenously to BALB/c mice and the induced cellular immune response was evaluated by measuring secretion levels of interferon gamma (IFN-γ) and interleukin 10 (IL-10) cytokines by the splenocytes. Humoral response of treated mice was also assessed by measuring total immunoglobulin G (IgG) titer in mice sera. The obtained results showed that idarubicin-ZHER2 affibody conjugate at any examined concentrations could not induce secretion of IFN-γ as a pro-inflammatory cytokine. A mild increase in the level of regulatory IL-10 cytokine was seen in the treated mice although no dose dependency in the level of IL-10 production was observed. Furthermore, results showed that idarubicin-ZHER2 conjugate could not induce IgG production in the treated mice. Based on these findings, the idarubicin-ZHER2 conjugate can be considered as a candidate for the development of new therapeutics against HER2-overexpressing cancers although further in vivo studies are needed.
MeSH term(s)	Animals ; Female ; Idarubicin/immunology ; Immunity, Cellular/immunology ; Immunity, Humoral/immunology ; Immunoglobulin G/immunology ; Inflammation/immunology ; Interferon-gamma/immunology ; Interleukin-10/immunology ; Mice ; Mice, Inbred BALB C ; Receptor, ErbB-2/immunology
Chemical Substances	Immunoglobulin G ; Interleukin-10 (130068-27-8) ; Interferon-gamma (82115-62-6) ; Erbb2 protein, mouse (EC 2.7.10.1) ; Receptor, ErbB-2 (EC 2.7.10.1) ; Idarubicin (ZRP63D75JW)
Language	English
Publishing date	2019-10-23
Publishing country	Iran
Document type	Journal Article
ZDB-ID	2488724-9
ISSN	1735-5249 ; 1735-1502
ISSN (online)	1735-5249
ISSN	1735-1502
DOI	10.18502/ijaai.v18i5.1919
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Article ; Online: Immunological Responses against HER2-targeted Idarubicin-ZHER2 Conjugate in BALB/c Mice

Leila Siavoshinia / Mostafa Jamalan / Majid Zeinali / Ghorban Mohammadzadeh

Iranian Journal of Allergy, Asthma and Immunology, Vol 18, Iss

2019 Volume 5

Abstract	Targeting of cancerous cells with a high level of human epidermal growth factor receptor 2 (HER2) expressions by drug immunoconjugates is a new approach for specific delivery of chemotherapeutic agents. Our previous work indicated that idarubicin-ZHER2 affibody conjugate has a great potential for the treatment of HER2-overexpressing malignant cell lines but possible induced immune response against constructed conjugate was not addressed. In the current study, the possibility of induction of humoral and cellular immune responses against idarubicin-ZHER2 affibody conjugate in BALB/c mice was investigated. For assessment of the induced immune response, prepared and qualified idarubicin-ZHER2 affibody conjugate was administrated intravenously to BALB/c mice and the induced cellular immune response was evaluated by measuring secretion levels of interferon gamma (IFN-γ) and interleukin 10 (IL-10) cytokines by the splenocytes. Humoral response of treated mice was also assessed by measuring total immunoglobulin G (IgG) titer in mice sera. The obtained results showed that idarubicin-ZHER2 affibody conjugate at any examined concentrations could not induce secretion of IFN-γ as a pro-inflammatory cytokine. A mild increase in the level of regulatory IL-10 cytokine was seen in the treated mice although no dose dependency in the level of IL-10 production was observed. Furthermore, results showed that idarubicin-ZHER2 conjugate could not induce IgG production in the treated mice. Based on these findings, the idarubicin-ZHER2 conjugate can be considered as a candidate for the development of new therapeutics against HER2-overexpressing cancers although further in vivo studies are needed.
Keywords	Cytokine ; Human epidermal growth factor receptor 2 ; Idarubicin-ZHER2 affibody conjugate ; Immune response ; Immunoglobulin G ; Medicine ; R
Subject code	616
Language	English
Publishing date	2019-10-01T00:00:00Z
Publisher	Tehran University of Medical Sciences
Document type	Article ; Online
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