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Book ; Online ; E-Book: Protein kinase inhibitors

Hassan, Md. Imtaiyaz / Noor, Saba

from discovery to therapeutics

2022

Author's details	edited by Md. Imtaiyaz Hassan and Saba Noor
Keywords	Protein kinases/Inhibitors ; Protein kinases
Language	English
Size	1 online resource
Publisher	Academic Press
Publishing place	London, UK
Document type	Book ; Online ; E-Book
Remark	Zugriff für angemeldete ZB MED-Nutzerinnen und -Nutzer
ISBN	0-323-91287-7 ; 978-0-323-91287-7
Database	ZB MED Catalogue: Medicine, Health, Nutrition, Environment, Agriculture

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Article ; Online: Multi-omics approaches to therapeutic target identification.

Hassan, Md Imtaiyaz

Briefings in functional genomics

2023 Volume 22, Issue 2, Page(s) 75

MeSH term(s)	Multiomics ; Genomics ; Proteomics
Language	English
Publishing date	2023-04-13
Publishing country	England
Document type	Journal Article
ZDB-ID	2540916-5
ISSN	2041-2657 ; 2041-2649 ; 2041-2647
ISSN (online)	2041-2657
ISSN	2041-2649 ; 2041-2647
DOI	10.1093/bfgp/elac058
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Article ; Online: Exploring the diverse role of pyruvate kinase M2 in cancer: Navigating beyond glycolysis and the Warburg effect.

Upadhyay, Saurabh / Khan, Shumayila / Hassan, Md Imtaiyaz

Biochimica et biophysica acta. Reviews on cancer

2024 Volume 1879, Issue 3, Page(s) 189089

Abstract: Pyruvate Kinase M2, a key enzyme in glycolysis, has garnered significant attention in cancer research due to its pivotal role in the metabolic reprogramming of cancer cells. Originally identified for its association with the Warburg effect, PKM2 has ... ...

Abstract	Pyruvate Kinase M2, a key enzyme in glycolysis, has garnered significant attention in cancer research due to its pivotal role in the metabolic reprogramming of cancer cells. Originally identified for its association with the Warburg effect, PKM2 has emerged as a multifaceted player in cancer biology. The functioning of PKM2 is intricately regulated at multiple levels, including controlling the gene expression via various transcription factors and non-coding RNAs, as well as adding post-translational modifications that confer distinct functions to the protein. Here, we explore the diverse functions of PKM2, encompassing newly emerging roles in non-glycolytic metabolic regulation, immunomodulation, inflammation, DNA repair and mRNA processing, beyond its canonical role in glycolysis. The ever-expanding list of its functions has recently grown to include roles in subcellular compartments such as the mitochondria and extracellular milieu as well, all of which make PKM2 an attractive drug target in the pursuit of therapeutics for cancer.
Language	English
Publishing date	2024-03-06
Publishing country	Netherlands
Document type	Journal Article ; Review
ZDB-ID	2918802-7
ISSN	1879-2561 ; 0304-419X
ISSN (online)	1879-2561
ISSN	0304-419X
DOI	10.1016/j.bbcan.2024.189089
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Article ; Online: Targeted protein degraders march towards the clinic for neurodegenerative diseases.

Kumar, Dhiraj / Hassan, Md Imtaiyaz

Ageing research reviews

2022 Volume 78, Page(s) 101616

Abstract: Protein degraders are emerging as potent therapeutic tools to address neurological disorders and many complex diseases. It offered several key advantages, including the doses, drug resistance, and side effects over traditional occupancy-based inhibitors. ...

Abstract	Protein degraders are emerging as potent therapeutic tools to address neurological disorders and many complex diseases. It offered several key advantages, including the doses, drug resistance, and side effects over traditional occupancy-based inhibitors. Translation of chemical degraders into a clinical therapy for neurodegenerative disorders has a well-documented knowledge and resource gap. Researchers strive to develop clinical candidates employing chemical degraders' technologies, including hydrophobic tagging, molecular glues, proteolysis targeting chimeras (PROTACs), specific and nongenetic Inhibitor of Apoptosis Protein (IAP)-dependent protein erasers (SNIPERs), autophagy targeted chimeras, and autophagosome-tethered compounds for targeted degradation of pathological markers in neurodegenerative disease. Herein, we examined the present state of chemical-mediated targeted protein degradation in the quest for medications to treat neurodegenerative diseases. We further identified targeted degraders under clinical development for neurodegenerative diseases summarizing pertinent discoveries guiding the future of degradation therapeutics. We also addressed the necessary pharmacological interventions needed to achieve unprecedented therapeutic efficacy and its associated challenges.
MeSH term(s)	Autophagy ; Humans ; Neurodegenerative Diseases/drug therapy ; Proteins/metabolism ; Proteolysis
Chemical Substances	Proteins
Language	English
Publishing date	2022-04-01
Publishing country	England
Document type	Journal Article ; Review ; Research Support, Non-U.S. Gov't
ZDB-ID	2075672-0
ISSN	1872-9649 ; 1568-1637
ISSN (online)	1872-9649
ISSN	1568-1637
DOI	10.1016/j.arr.2022.101616
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Article ; Online: Agents at the Peak of US FDA Approval for the Treatment of Alzheimer's Disease.

Alam, Jahngeer / Kalash, Anushka / Hassan, Md Imtaiyaz / Rahman, Syed Ziaur

Neurological research

2024 Volume 46, Issue 4, Page(s) 318–325

Abstract: Where Alzheimer's disease (AD) is becoming a global health issue, the present anti-AD medications have also been exposed to produce only symptomatic outcomes. The pathological factors, like neuronal transmission impairment, amyloidal-tau constituents, ... ...

Abstract	Where Alzheimer's disease (AD) is becoming a global health issue, the present anti-AD medications have also been exposed to produce only symptomatic outcomes. The pathological factors, like neuronal transmission impairment, amyloidal-tau constituents, oxidative damage, neuro-inflammation, synaptic dysfunction, infectious agents, and impairment of gut microbiota and vitamins' levels; all favor the disease's progression and sustainability. The researchers have investigated several drugable molecules against these factors; however, no treatment could have been discovered yet to prevent the disease's progression rather than anti-amyloidal antibodies. After a comprehensive review of the literature and the clinical registry (
MeSH term(s)	Humans ; Alzheimer Disease/drug therapy
Language	English
Publishing date	2024-01-10
Publishing country	England
Document type	Journal Article ; Review
ZDB-ID	424428-x
ISSN	1743-1328 ; 0161-6412
ISSN (online)	1743-1328
ISSN	0161-6412
DOI	10.1080/01616412.2024.2302271
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Article ; Online: Ultra-sensitive techniques for detecting neurological biomarkers: Prospects for early diagnosis.

Kumar, Dhiraj / Hassan, Md Imtaiyaz

Biochemical and biophysical research communications

2021 Volume 584, Page(s) 15–18

Abstract: Identifying reliable biomarkers and ultra-sensitive techniques are crucial for the early detection of neurodegenerative disorders (NDDs) to improve the clinical diagnosis and development of effective disease-modifying treatments. Here, we discussed ... ...

Abstract	Identifying reliable biomarkers and ultra-sensitive techniques are crucial for the early detection of neurodegenerative disorders (NDDs) to improve the clinical diagnosis and development of effective disease-modifying treatments. Here, we discussed recent technological advancements that enabled scientists to monitor brain health by detecting biological molecules even at lower levels. These technologies enabled the detection of neurological biomarkers in blood, revolutionizing the diagnosis and prognosis of NDDs. Moreover, it provided a better understanding of disease pathology's long-term effects, resulting in fewer invasive tests, early diagnosis, faster drug development, and possibly more effective therapies as possible outcomes.
MeSH term(s)	Alzheimer Disease/diagnosis ; Alzheimer Disease/metabolism ; Amyloid beta-Peptides/metabolism ; Biomarkers/metabolism ; Early Diagnosis ; Humans ; Immunoassay/methods ; Neurodegenerative Diseases/diagnosis ; Neurodegenerative Diseases/metabolism ; Parkinson Disease/diagnosis ; Parkinson Disease/metabolism ; Sensitivity and Specificity ; Ubiquitin-Protein Ligases/metabolism
Chemical Substances	Amyloid beta-Peptides ; Biomarkers ; Ubiquitin-Protein Ligases (EC 2.3.2.27) ; parkin protein (EC 2.3.2.27)
Language	English
Publishing date	2021-11-02
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't ; Review
ZDB-ID	205723-2
ISSN	1090-2104 ; 0006-291X ; 0006-291X
ISSN (online)	1090-2104 ; 0006-291X
ISSN	0006-291X
DOI	10.1016/j.bbrc.2021.10.073
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Article ; Online: Neurodegenerative brain models vs. cell replacement or restoration therapy: A review on promises and pitfalls.

Kumar, Dhiraj / Hassan, Md Imtaiyaz

Biochemical and biophysical research communications

2021 Volume 585, Page(s) 124–131

Abstract: Disease models have proven useful tools for gaining deeper mechanistic insights into neurodegenerative diseases. In this context, stem cell technology is effective, especially induced pluripotent stem cell (iPSC)-derived brain organoids and cell ... ...

Abstract	Disease models have proven useful tools for gaining deeper mechanistic insights into neurodegenerative diseases. In this context, stem cell technology is effective, especially induced pluripotent stem cell (iPSC)-derived brain organoids and cell replacement/restoration which can be used for personalized medicine, allowing physicians to test the efficacy of drugs in vitro before delivering them to patients, enabling more precise and personalized treatment. Nonetheless, it offers the potential to minimize (or even eliminate) the use of animals, provides important clues for disease processes, and accelerates therapeutic strategies. Perhaps in the not-too-distant future, organoid models of the human brain will be able to link blood-brain barrier cultures with other liver cultures, simulating blood flow across organs and as a method of testing medicines, giving crucial pharmacokinetics and pharmacodynamics data. Simultaneously, stem cell interventions for cell replacements or restoration therapy would enable us to realize efficacious and realistic therapeutic options for Neurodegenerative diseases.
MeSH term(s)	Animals ; Blood-Brain Barrier/drug effects ; Blood-Brain Barrier/metabolism ; Brain/drug effects ; Brain/metabolism ; Brain/pathology ; Drug Discovery/methods ; Humans ; Induced Pluripotent Stem Cells/cytology ; Induced Pluripotent Stem Cells/metabolism ; Induced Pluripotent Stem Cells/transplantation ; Neurodegenerative Diseases/therapy ; Organoids/cytology ; Organoids/drug effects ; Organoids/metabolism ; Precision Medicine/methods ; Stem Cell Transplantation/methods
Language	English
Publishing date	2021-11-12
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't ; Review
ZDB-ID	205723-2
ISSN	1090-2104 ; 0006-291X ; 0006-291X
ISSN (online)	1090-2104 ; 0006-291X
ISSN	0006-291X
DOI	10.1016/j.bbrc.2021.11.040
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Article ; Online: Identification of High-Affinity Inhibitors of TANK-Binding Kinase 1 (TBK1): A Promising Frontier for Controlling Inflammatory Signaling in Cancer.

Jairajpuri, Deeba Shamim / Mohammad, Taj / Hussain, Afzal / Alajmi, Mohamed F / Yadav, Dharmendra Kumar / Hassan, Md Imtaiyaz

Discovery medicine

2024 Volume 36, Issue 180, Page(s) 129–139

Abstract: Background: TANK-binding kinase 1 (TBK1) is an important serine/threonine kinase involved in inflammatory signaling pathways, influencing cellular processes such as proliferation, programmed cell death, autophagy, and immune response regulation. ... ...

Abstract	Background: TANK-binding kinase 1 (TBK1) is an important serine/threonine kinase involved in inflammatory signaling pathways, influencing cellular processes such as proliferation, programmed cell death, autophagy, and immune response regulation. Dysregulation of TBK1 has been linked to cancer progression and neurodegenerative disorders, making it an attractive target for therapeutic development. This study aimed to identify potential TBK1 inhibitors using a structure-based virtual screening approach. Methods: We conducted a comprehensive screening of the ZINC database to identify compounds with high binding affinity for TBK1, employing molecular docking as the primary selection criterion. The top candidates were then subjected to extensive 200 ns molecular dynamics (MD) simulations to assess the conformational dynamics of TBK1 and the stability of the protein-ligand complexes, with a focus on ZINC02095133 and ZINC02130647. Results: The findings revealed that TBK1 forms stable complexes with ZINC02095133 and ZINC02130647, demonstrating consistent interactions throughout the MD simulations. This suggests that these compounds hold promise as potential lead molecules for future therapies targeting TBK1. Conclusions: This study identifies ZINC02095133 and ZINC02130647 as promising TBK1 inhibitors with therapeutic potential. However, further experimental validation and optimization are required to develop novel inhibitors for diseased conditions associated with TBK1 signaling. These findings pave the way for future investigations into the clinical utility of these compounds in combating TBK1-related pathologies.
MeSH term(s)	Humans ; Molecular Docking Simulation ; Protein Serine-Threonine Kinases/chemistry ; Protein Serine-Threonine Kinases/metabolism ; Signal Transduction ; Molecular Dynamics Simulation ; Neoplasms/drug therapy
Chemical Substances	Protein Serine-Threonine Kinases (EC 2.7.11.1) ; TBK1 protein, human (EC 2.7.11.1)
Language	English
Publishing date	2024-01-25
Publishing country	United States
Document type	Journal Article
ZDB-ID	2415544-5
ISSN	1944-7930 ; 1944-7930
ISSN (online)	1944-7930
ISSN	1944-7930
DOI	10.24976/Discov.Med.202436180.12
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Article: The neuroprotective potential of phytochemicals in traumatic brain injury: mechanistic insights and pharmacological implications.

Hasan, Gulam Mustafa / Anwar, Saleha / Shamsi, Anas / Sohal, Sukhwinder Singh / Hassan, Md Imtaiyaz

Frontiers in pharmacology

2024 Volume 14, Page(s) 1330098

Abstract: Traumatic brain injury (TBI) leads to brain damage, comprising both immediate primary damage and a subsequent cascade of secondary injury mechanisms. The primary injury results in localized brain damage, while the secondary damage initiates inflammatory ... ...

Abstract	Traumatic brain injury (TBI) leads to brain damage, comprising both immediate primary damage and a subsequent cascade of secondary injury mechanisms. The primary injury results in localized brain damage, while the secondary damage initiates inflammatory responses, followed by the disruption of the blood-brain barrier, infiltration of peripheral blood cells, brain edema, and the release of various immune mediators, including chemotactic factors and interleukins. TBI disrupts molecular signaling, cell structures, and functions. In addition to physical tissue damage, such as axonal injuries, contusions, and haemorrhages, TBI interferes with brain functioning, impacting cognition, decision-making, memory, attention, and speech capabilities. Despite a deep understanding of the pathophysiology of TBI, an intensive effort to evaluate the underlying mechanisms with effective therapeutic interventions is imperative to manage the repercussions of TBI. Studies have commenced to explore the potential of employing natural compounds as therapeutic interventions for TBI. These compounds are characterized by their low toxicity and limited interactions with conventional drugs. Moreover, many natural compounds demonstrate the capacity to target various aspects of the secondary injury process. While our understanding of the pathophysiology of TBI, there is an urgent need for effective therapeutic interventions to mitigate its consequences. Here, we aimed to summarize the mechanism of action and the role of phytochemicals against TBI progression. This review discusses the therapeutic implications of various phytonutrients and addresses primary and secondary consequences of TBI. In addition, we highlighted the roles of emerging phytochemicals as promising candidates for therapeutic intervention of TBI. The review highlights the neuroprotective roles of phytochemicals against TBI and the mechanistic approach. Furthermore, our efforts focused on the underlying mechanisms, providing a better understanding of the therapeutic potential of phytochemicals in TBI therapeutics.
Language	English
Publishing date	2024-01-04
Publishing country	Switzerland
Document type	Journal Article ; Review
ZDB-ID	2587355-6
ISSN	1663-9812
ISSN	1663-9812
DOI	10.3389/fphar.2023.1330098
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Article ; Online: Harnessing memantine in Alzheimer's disease therapy through inhibition of microtubule affinity-regulating kinase: Mechanistic insights.

Anwar, Saleha / Choudhury, Arunabh / Hussain, Afzal / AlAjmi, Mohamed F / Hassan, Md Imtaiyaz / Islam, Asimul

International journal of biological macromolecules

2024 Volume 262, Issue Pt 2, Page(s) 130090

Abstract: Alzheimer's disease (AD) is one of the neurodegenerative disorder that primarily affects memory, thinking, and behavior, eventually leading to severe cognitive impairment. Therapeutic management of AD is urgently needed to improve the quality and ... ...

Abstract	Alzheimer's disease (AD) is one of the neurodegenerative disorder that primarily affects memory, thinking, and behavior, eventually leading to severe cognitive impairment. Therapeutic management of AD is urgently needed to improve the quality and lifestyle of patients. Tau phosphorylating kinases are considered attractive therapeutic targets. Microtubule affinity-regulating kinase 4 (MARK4) is directly linked with pathological phosphorylations of tau, highlighting its role in the therapeutic targeting of AD. The current manuscript shows the MARK4 inhibitory effect of Memantine (MEM), a drug used in treating AD. We have performed fluorescence based binding measurements, enzyme inhibition assay, docking and molecular dynamics (MD) simulations to understand the binding of of MARK4 and MEM and subsequent inhibition in the kinase activity. A 100 ns MD simulations provided a detailed analysis of MARK4-MEM complex and the role of potential critical residues in the binding. Finally, this study provides molecular insights into the therapeutic implication of MEM in AD therapeutics. We propose MEM effectively inhibits MARK4, it may be implicated in the development of targeted and efficient treatments for AD.
MeSH term(s)	Humans ; Alzheimer Disease/metabolism ; Memantine/pharmacology ; Memantine/therapeutic use ; Protein Serine-Threonine Kinases/metabolism ; Protein Binding ; Microtubules/metabolism
Chemical Substances	Memantine (W8O17SJF3T) ; Protein Serine-Threonine Kinases (EC 2.7.11.1)
Language	English
Publishing date	2024-02-09
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.2024.130090
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