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Article ; Online: Design, Synthesis and In Vitro Evaluation of Levodopa Stearic Acid Hydrazide Conjugate for the Management of Parkinson's DiseaseNovel Conjugate for Parkinson's Disease.

Chinraj, Vasanthi / Reddy, Ramakkamma Aishwarya / Selvaraj, Jubie / Sureshkumar, Raman

2024 Volume 74, Issue 2, Page(s) 60–66

Abstract: Parkinson's disease is the highest prevalent neurodegenerative disease in elderly individuals after Alzheimer's disease. The pathological identification for Parkinson's disease is loss of dopaminergic neurons in substantia nigra region of the brain that ... ...

Abstract	Parkinson's disease is the highest prevalent neurodegenerative disease in elderly individuals after Alzheimer's disease. The pathological identification for Parkinson's disease is loss of dopaminergic neurons in substantia nigra region of the brain that in turn leads to dopamine deficiency that affects the body's normal physiological and neurological disorder. The important drawback in the modality of treatment is levodopa is only supplying depleted dopamine in the brain, it does not affect neurodegeneration. Even though levodopa manages the disease, an alternative treatment strategy is required to stop or prevent further degeneration of neuron. The compound with neuroprotector activity suits the requirement. Of them, stearic acid plays a vital role in protecting neurons against oxidative stress through a Phosphoinositide 3-kinase-dependent mechanism. Hence, our present study aimed to design, synthesize, and characterize the levodopa stearic acid hydrazide conjugate. Additionally, evaluate the cytotoxicity of synthesized compound in SHSY5Y: cell lines. In brief, levodopa was conjugated to the stearic acid successfully and was confirmed with Fourier-transform infrared spectroscopy, Nuclear magnetic resonance, and Mass Spectroscopy.
MeSH term(s)	Humans ; Aged ; Parkinson Disease/drug therapy ; Parkinson Disease/pathology ; Levodopa/pharmacology ; Levodopa/metabolism ; Dopamine/metabolism ; Neurodegenerative Diseases ; Phosphatidylinositol 3-Kinases/metabolism ; Dopaminergic Neurons ; Antiparkinson Agents/pharmacology ; Antiparkinson Agents/therapeutic use ; Antiparkinson Agents/metabolism ; Stearic Acids
Chemical Substances	Levodopa (46627O600J) ; stearic acid (4ELV7Z65AP) ; Dopamine (VTD58H1Z2X) ; Phosphatidylinositol 3-Kinases (EC 2.7.1.-) ; Antiparkinson Agents ; Stearic Acids
Language	English
Publishing date	2024-01-29
Publishing country	Germany
Document type	Journal Article
ZDB-ID	2703847-6
ISSN	2194-9387 ; 2194-9379
ISSN (online)	2194-9387
ISSN	2194-9379
DOI	10.1055/a-2234-9859
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Article: [No title information]

Chinraj, Vasanthi / Reddy, Ramakkamma Aishwarya / Selvaraj, Jubie / Sureshkumar, Raman

Drug Research

2024 Volume 74, Issue 02, Page(s) 60–66

Abstract: Parkinson’s disease is the highest prevalent neurodegenerative disease in elderly individuals after Alzheimer’s disease. The pathological identification for Parkinson’s disease is loss of dopaminergic neurons ...

Abstract	Parkinson’s disease is the highest prevalent neurodegenerative disease in elderly individuals after Alzheimer’s disease. The pathological identification for Parkinson’s disease is loss of dopaminergic neurons in substantia nigra region of the brain that in turn leads to dopamine deficiency that affects the body’s normal physiological and neurological disorder. The important drawback in the modality of treatment is levodopa is only supplying depleted dopamine in the brain, it does not affect neurodegeneration. Even though levodopa manages the disease, an alternative treatment strategy is required to stop or prevent further degeneration of neuron. The compound with neuroprotector activity suits the requirement. Of them, stearic acid plays a vital role in protecting neurons against oxidative stress through a Phosphoinositide 3-kinase-dependent mechanism. Hence, our present study aimed to design, synthesize, and characterize the levodopa stearic acid hydrazide conjugate. Additionally, evaluate the cytotoxicity of synthesized compound in SHSY5Y: cell lines. In brief, levodopa was conjugated to the stearic acid successfully and was confirmed with Fourier-transform infrared spectroscopy, Nuclear magnetic resonance, and Mass Spectroscopy. In vitro cell viability study in SHSY5Y: cell lines showed elevated cell viability in 0.134 µm concentration of Conjugate, and 0.563 µm concentration of levodopa. Showing that the synthesized compound could offer an improved treatment strategy for Parkinson’s disease.
Keywords	levodopa ; stearic acid ; Parkinson’s disease ; neuroprotective
Language	English
Publishing date	2024-01-29
Publisher	Georg Thieme Verlag
Publishing place	Stuttgart ; New York
Document type	Article
ZDB-ID	2703847-6
ISSN	2194-9387 ; 2194-9379
ISSN (online)	2194-9387
ISSN	2194-9379
DOI	10.1055/a-2234-9859
Database	Thieme publisher's database

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Article ; Online: Metal-Organic Framework in Pharmaceutical Drug Delivery.

Kundu, Sudipto / Swaroop, Akey Krishna / Selvaraj, Jubie

Current topics in medicinal chemistry

2022 Volume 23, Issue 13, Page(s) 1155–1170

Abstract: Metal-organic frameworks (MOFs) are porous, crystalline materials made up of organic ligands and metal ions/metal clusters linked by coordinative bonds. This large family is becoming increasingly popular for drug delivery due to their tuneable porosity, ... ...

Abstract	Metal-organic frameworks (MOFs) are porous, crystalline materials made up of organic ligands and metal ions/metal clusters linked by coordinative bonds. This large family is becoming increasingly popular for drug delivery due to their tuneable porosity, chemical composition, size and shape, and ease of surface functionalization. There has been a growing interest over the last decades in the design of engineered MOFs with controlled sizes for a variety of biomedical applications. Starting with the MOFs classification adapted for drug delivery systems (DDSs) based on the types of constituting metals and ligands. MOFs are appealing drug delivery vehicles because of their substantial drug absorption capacity and slow-release processes, which protect and convey sensitive drug molecules to target areas. Other guest materials have been incorporated into MOFs to create MOF-composite materials, which have added additional functionalities such as externally triggered drug release, improved pharmacokinetics, and diagnostic aids. Magnetic nanoparticles in MOFs for MRI image contrast and polymer coatings that increase blood circulation time are examples of synthetically adaptable MOF-composites. By including photosensitizers, which exert lethal effects on cancer cells by converting tumour oxygen into reactive singlet oxygen (
MeSH term(s)	Humans ; Metal-Organic Frameworks/chemistry ; Pharmaceutical Preparations ; Ligands ; Drug Delivery Systems ; Polymers ; Metals/chemistry ; Neoplasms/drug therapy ; Excipients
Chemical Substances	Metal-Organic Frameworks ; Pharmaceutical Preparations ; Ligands ; Polymers ; Metals ; Excipients
Language	English
Publishing date	2022-11-29
Publishing country	United Arab Emirates
Document type	Journal Article
ZDB-ID	2064823-6
ISSN	1873-4294 ; 1568-0266
ISSN (online)	1873-4294
ISSN	1568-0266
DOI	10.2174/1568026623666230202122519
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Article ; Online: Navigating IL-6: From molecular mechanisms to therapeutic breakthroughs.

Swaroop, Akey Krishna / Negi, Preeya / Kar, Ayushi / Mariappan, Esakkimuthukumar / Natarajan, Jawahar / Namboori P K, Krishnan / Selvaraj, Jubie

Cytokine & growth factor reviews

2024 Volume 76, Page(s) 48–76

Abstract: This concise review navigates the intricate realm of Interleukin-6 (IL-6), an important member of the cytokine family. Beginning with an introduction to cytokines, this narrative review unfolds with the historical journey of IL-6, illuminating its ... ...

Abstract	This concise review navigates the intricate realm of Interleukin-6 (IL-6), an important member of the cytokine family. Beginning with an introduction to cytokines, this narrative review unfolds with the historical journey of IL-6, illuminating its evolving significance. A crucial section unravels the three distinct signaling modes employed by IL-6, providing a foundational understanding of its versatile interactions within cellular landscapes. Moving deeper, the review meticulously dissects IL-6's signaling mechanisms, unraveling the complexities of its pleiotropic effects in both physiological responses and pathological conditions. A significant focus is dedicated to the essential role IL-6 plays in inflammatory diseases, offering insights into its associations and implications for various health conditions. The review also takes a therapeutic turn by exploring the emergence of anti-IL-6 monoclonal inhibitors, marking a profound stride in treatment modalities. Diving into the molecular realm, the review explores small molecules as agents for IL-6 inhibition, providing a nuanced perspective on diverse intervention strategies. As the review embarks on the final chapters, it contemplates future aspects, offering glimpses into potential research trajectories and the evolving landscape of IL-6-related studies.
MeSH term(s)	Humans ; Interleukin-6 ; Cytokines ; Signal Transduction
Chemical Substances	Interleukin-6 ; Cytokines
Language	English
Publishing date	2024-01-02
Publishing country	England
Document type	Journal Article ; Review ; Research Support, Non-U.S. Gov't
ZDB-ID	1330534-7
ISSN	1879-0305 ; 1359-6101
ISSN (online)	1879-0305
ISSN	1359-6101
DOI	10.1016/j.cytogfr.2023.12.007
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Article ; Online: Effect of Calcitriol in Inhibiting the Cancer Cell Growth and Promoting Apoptosis in ErbB2-positive Breast Cancer Cells.

Selvaraj, Nagaraj Balan / Swaroop, Akey Krishna / Mariappan, Esakkimuthukumar / Natarajan, Jawahar / Thangavelu, Prabha / Selvaraj, Jubie

Anti-cancer agents in medicinal chemistry

2023 Volume 23, Issue 18, Page(s) 2056–2071

Abstract: Background: Targeted therapies, specifically ErbB family tyrosine kinase inhibitors, have demonstrated potential for improving outcomes in patients with ErbB2-positive breast cancer. Despite their effectiveness, these therapies are associated with ... ...

Abstract	Background: Targeted therapies, specifically ErbB family tyrosine kinase inhibitors, have demonstrated potential for improving outcomes in patients with ErbB2-positive breast cancer. Despite their effectiveness, these therapies are associated with limitations, including high costs, side effects, drug resistance, lack of specificity, and toxicity. To overcome these challenges, drug repurposing has emerged as a promising strategy in breast cancer treatment. Objective: The aim of this investigation was to assess the influence of calcitriol on breast cancer cell lines expressing ErbB2 and comparing its effects with the conventional treatment, neratinib. Methods: We employed an MTT test to determine cell viability and utilized staining techniques to assess cell apoptosis. Flow cytometry was used to evaluate cell cycle arrest, while a scratch wound healing test was performed to examine cancer cell migration ability. Additionally, gene expression studies were conducted for calcitriol and neratinib to support our hypothesis regarding the ErbB2 gene. Results: The repurposing of calcitriol demonstrated enhanced efficacy in suppressing cancer cell growth in ErbB2- positive breast cancer. Proportionally, calcitriol significantly reduced the viability of SK-BR-3 cells, similar to neratinib. Furthermore, calcitriol exhibited significant cytotoxicity against neratinib and substantially reduced breast cancer cell growth. These findings were corroborated by the wound healing assay, cell cycle arrest analysis, and gene expression studies, demonstrating comparable efficacy to the standard treatment, neratinib. Conclusion: The findings from this investigation offer compelling proof that highlights the promising role of calcitriol as an adjuvant drug with antiproliferative and antitumoral effects in the management of ErbB2-positive breast carcinoma patients. Therefore, we recommend further evaluation of calcitriol in clinical settings, particularly for the treatment of ErbB2-positive breast cancer, as it shows promise as a valuable therapeutic option.
Language	English
Publishing date	2023-08-20
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	2217610-X
ISSN	1875-5992 ; 1871-5206
ISSN (online)	1875-5992
ISSN	1871-5206
DOI	10.2174/1871520623666230822100006
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Article ; Online: Repurposing of FDA Approved Drugs and Neuropep peptides as Anticancer Agents Against ErbB1 and ErbB2.

Patnaik, Sunil Kumar / Swaroop, Akey Krishna / Naik, Mudavath Ravi / Selvaraj, Jubie / Chandrasekar, Moola Joghee Nanjan

Drug research

2023 Volume 73, Issue 6, Page(s) 341–348

Abstract: ErbB1 and ErbB2 are the most important biological targets in cancer drug discovery and development of dual inhibitors for the cancer therapy. FDA approved drugs and Neuropep peptides were used to fit into the ATP binding site of the tyrosine kinases; ... ...

Abstract	ErbB1 and ErbB2 are the most important biological targets in cancer drug discovery and development of dual inhibitors for the cancer therapy. FDA approved drugs and Neuropep peptides were used to fit into the ATP binding site of the tyrosine kinases; ErbB1 and ErbB2 proteins. Cytoscape, iGEMDOCK, HPEPDOCK and DataWarrior softwares were used to study the role of these agents as anticancer drugs. Eleven FDA approved drugs and eleven Neuropep peptides showed the strongest 2D interactions and significant binding energy with the proteins.
MeSH term(s)	Lapatinib/pharmacology ; Drug Repositioning ; Quinazolines/pharmacology ; Quinazolines/therapeutic use ; Antineoplastic Agents/pharmacology ; Peptides/pharmacology
Chemical Substances	Lapatinib (0VUA21238F) ; Quinazolines ; Antineoplastic Agents ; Peptides
Language	English
Publishing date	2023-04-17
Publishing country	Germany
Document type	Journal Article
ZDB-ID	2703847-6
ISSN	2194-9387 ; 2194-9379
ISSN (online)	2194-9387
ISSN	2194-9379
DOI	10.1055/a-2030-4078
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Article ; Online: The identification of cianidanol as a selective estrogen receptor beta agonist and evaluation of its neuroprotective effects on Parkinson's disease models.

Rymbai, Emdormi / Sugumar, Deepa / Chakkittukandiyil, Amritha / Kothandan, Ram / Selvaraj, Jubie / Selvaraj, Divakar

Life sciences

2023 Volume 333, Page(s) 122144

Abstract: Aim: The present study aims to identify selective estrogen receptor beta (ERβ) agonists and to evaluate the neuroprotective mechanism in Parkinson's disease (PD) models.: Main methods: In-silico studies were carried out using Maestro and GROMACS. ... ...

Abstract	Aim: The present study aims to identify selective estrogen receptor beta (ERβ) agonists and to evaluate the neuroprotective mechanism in Parkinson's disease (PD) models. Main methods: In-silico studies were carried out using Maestro and GROMACS. Neuroprotective activity and apoptosis were evaluated using cytotoxicity assay and flow cytometry respectively. Gene expression studies were carried out by reverse transcription polymerase chain reaction. Motor and cognitive functions were assessed by actophotometer, rotarod, catalepsy, and elevated plus maze. The neuronal population in the substantia nigra and striatum of rats was assessed by hematoxylin and eosin staining. Key findings: Cianidanol was identified as a selective ERβ agonist through virtual screening. The cianidanol-ERβ complex is stable during the 200 ns simulation and was able to retain the interactions with key amino acid residues. Cianidanol (25 μM) prevents neuronal toxicity and apoptosis induced by rotenone in differentiated SH-SY5Y cells. Additionally, cianidanol (25 μM) increases the expression of ERβ, cathepsin D, and Nrf2 transcripts. The neuroprotective effects of cianidanol (25 μM) were reversed in the presence of a selective ERβ antagonist. In this study, we found that selective activation of ERβ could decrease the transcription of α-synuclein gene. Additionally, cianidanol (10, 20, 30 mg/kg, oral) improves the motor and cognitive deficit in rats induced by rotenone. Significance: Cianidanol shows neuroprotective action in PD models and has the potential to serve as a novel therapeutic agent for the treatment of PD.
MeSH term(s)	Rats ; Humans ; Animals ; Parkinson Disease/drug therapy ; Parkinson Disease/metabolism ; Neuroprotective Agents/pharmacology ; Neuroprotective Agents/therapeutic use ; Estrogen Receptor beta ; Catechin/therapeutic use ; Rotenone/pharmacology ; Neuroblastoma/drug therapy ; Estrogens/therapeutic use ; Disease Models, Animal
Chemical Substances	Neuroprotective Agents ; Estrogen Receptor beta ; Catechin (8R1V1STN48) ; Rotenone (03L9OT429T) ; Estrogens
Language	English
Publishing date	2023-10-04
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	3378-9
ISSN	1879-0631 ; 0024-3205
ISSN (online)	1879-0631
ISSN	0024-3205
DOI	10.1016/j.lfs.2023.122144
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Article ; Online: Identification of Drug Candidates for Breast Cancer Therapy Through Scaffold Repurposing: A Brief Review.

Selvaraj, Jubie / Prabha, Thangavelu / Yadav, Neetu

Current drug research reviews

2020 Volume 13, Issue 1, Page(s) 3–15

Abstract: Conventional drug discovery is a time consuming and expensive expedition with less clinical preference achievement proportion intended for breast cancer therapy. Even if numerous novel approaches to the conformation of drugs have been introduced for ... ...

Abstract	Conventional drug discovery is a time consuming and expensive expedition with less clinical preference achievement proportion intended for breast cancer therapy. Even if numerous novel approaches to the conformation of drugs have been introduced for breast cancer therapy, they are yet to be implemented in clinical practice. This tempting strategy facilitates a remarkable chance to take the entire benefit of existing drugs. Despite drug repurposing significantly decrease the investigational period and cost, it has got many objections and issues. Scaffold repurposing is an approach that procures a novel significance on the decrepit motto of "to commencement with a pristine drug" . Hence, we move into a probable and nearer approach, the exploitation of scaffolds, which was originally developed for other purposes, including anti-tumor activity. In this review, we summarize different drugs and scaffolds used in breast cancer therapy.
MeSH term(s)	Animals ; Antineoplastic Agents/chemistry ; Antineoplastic Agents/pharmacology ; Breast Neoplasms/drug therapy ; Drug Discovery ; Drug Repositioning/methods ; Female ; Humans
Chemical Substances	Antineoplastic Agents
Language	English
Publishing date	2020-08-22
Publishing country	United Arab Emirates
Document type	Journal Article ; Review
ISSN	2589-9783
ISSN (online)	2589-9783
DOI	10.2174/2589977512666200824103019
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Article ; Online: Withdrawal Notice: Review on Dengue Virus Fusion/Entry Process and Their Inhibition by Small Bioactive Molecules

Naresh, Podila / Pottabatula, Shyam Sunder / Selvaraj, Jubie

Mini reviews in medicinal chemistry

2020

Language	English
Publishing date	2020-08-03
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	2104081-3
ISSN	1875-5607 ; 1389-5575
ISSN (online)	1875-5607
ISSN	1389-5575
DOI	10.2174/1389557520666200804115045
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Article ; Online: Network-based Drug Repurposing: A Critical Review.

Selvaraj, Nagaraj / Swaroop, Akey Krishna / Nidamanuri, Bala Sai Soujith / Kumar, Rajesh R / Natarajan, Jawahar / Selvaraj, Jubie

Current drug research reviews

2022 Volume 14, Issue 2, Page(s) 116–131

Abstract: New drug development for a disease is a tedious, time-consuming, complex, and expensive process. Even if it is done, the chances for success of newly developed drugs are still very low. Modern reports state that repurposing the pre-existing drugs will ... ...

Abstract	New drug development for a disease is a tedious, time-consuming, complex, and expensive process. Even if it is done, the chances for success of newly developed drugs are still very low. Modern reports state that repurposing the pre-existing drugs will have more efficient functioning than newly developed drugs. This repurposing process will save time, reduce expenses and provide more success rate. The only limitation for this repurposing is getting a desired pharmacological and characteristic parameter of various drugs from vast data about medications, their effects, and target mechanisms. This drawback can be avoided by introducing computational methods of analysis. This includes various network analysis types that use various biological processes and relationships with various drugs to simplify data interpretation. Some of the data sets now available in standard, and simplified forms include gene expression, drug-target interactions, protein networks, electronic health records, clinical trial results, and drug adverse event reports. Integrating various data sets and interpretation methods allows a more efficient and easy way to repurpose an exact drug for the desired target and effect. In this review, we are going to discuss briefly various computational biological network analysis methods like gene regulatory networks, metabolic networks, protein-protein interaction networks, drug-target interaction networks, drugdisease association networks, drug-drug interaction networks, drug-side effects networks, integrated network-based methods, semantic link networks, and isoform-isoform networks. Along with this, we briefly discussed the drug's limitations, prediction methodologies, and data sets utilised in various biological networks for drug repurposing.
MeSH term(s)	Drug Interactions ; Drug Repositioning/methods ; Gene Regulatory Networks ; Humans ; Protein Interaction Maps ; Proteins/metabolism
Chemical Substances	Proteins
Language	English
Publishing date	2022-01-13
Publishing country	United Arab Emirates
Document type	Journal Article ; Review
ISSN	2589-9783
ISSN (online)	2589-9783
DOI	10.2174/2589977514666220214120403
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