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15 results on '"Bagabir, Sali Abubaker"'

3. Role of the renin–angiotensin system in the pathophysiology of coronary heart disease and heart failure: Diagnostic biomarkers and therapy with drugs and natural products

Author

Mehta, Jinit K., primary, Kaur, Ginpreet, additional, Buttar, Harpal S., additional, Bagabir, Hala Abubaker, additional, Bagabir, Rania Abubaker, additional, Bagabir, Sali Abubaker, additional, Haque, Shafiul, additional, Tuli, Hardeep S., additional, and Telessy, Istvan G., additional

Published
2023
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6. Investigating the potential of natural compounds as novel inhibitors of SARS-CoV-2 RdRP using computational approaches

Author

Bagabir, Sali Abubaker

Subjects
Bioengineering, Molecular Biology, Biotechnology
Abstract

COVID-19 is a highly contagious disease caused by SARS-CoV-2. Currently, no vaccines or antiviral treatments are available to combat this deadly virus; however, precautions and some repurposed medicines are available to contain COVID-19. RNA-dependent RNA polymerase (RdRP) plays an important role in the replication or transcription of viral mechanisms. Approved antiviral drug such as Remdesivir has shown inhibitory activity against SARS-CoV-2 RdRP. The purpose of this study was to carry out a rational screening of natural products against SARS-CoV-2 RdRP, which may serve as a basis to develop a treatment option against COVID-19. For this purpose, a protein and structure conservation analysis of SARS-CoV-2 RdRP was performed to check mutations. A library of 15,000 phytochemicals was developed from literature review, ZINC database, PubChem and MPD3 database; and was used to performed molecular docking and molecular dynamics simulation (MD) analysis. The top-ranked compounds were subjected to pharmacokinetic and pharmacological studies. Among them, top 7 compounds (Spinasaponin A, Monotropane, Neohesperidoe, Posin, Docetaxel, Psychosaponin B2, Daphnodrine M, and Target Remedesvir) were noticed to interact with the active site residues. MD simulation in aqueous solution suggested conformational flexibility of loop regions in the complex to stabilize the docked inhibitors. Our study revealed that the studied compounds have potential to bind to the active site residues of SARS-CoV-2 RdRP. Although, this computational work is not experimentally determined but the structural information and selected compounds might help in the design of antiviral drugs targeting SAR-CoV-2 by inhibiting the activity of SARS-CoV-2 RdRP.

Published
2023
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7. Stem-Cell-Based Therapy: The Celestial Weapon against Neurological Disorders

Author

Zayed, Mohamed A., primary, Sultan, Samar, additional, Alsaab, Hashem O., additional, Yousof, Shimaa Mohammad, additional, Alrefaei, Ghadeer I., additional, Alsubhi, Nouf H., additional, Alkarim, Saleh, additional, Al Ghamdi, Kholoud S., additional, Bagabir, Sali Abubaker, additional, Jana, Ankit, additional, Alghamdi, Badrah S., additional, Atta, Hazem M., additional, and Ashraf, Ghulam Md, additional

Published
2022
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8. Molecular Docking and Pharmacoinformatics Studies Reveal Potential Phytochemicals against Target TNIK Receptors in Colorectal Cancer.

Author

Bagabir, Sali Abubaker

Subjects
*COLORECTAL cancer, *MOLECULAR docking, *EPIGALLOCATECHIN gallate, *PHYTOCHEMICALS, *ACOUSTICS
Abstract

Colorectal cancer (CRC) is the third most common cancer worldwide and can occur due to multiple reasons, one being induced by constitutive activation of the Wnt pathway. Traf2‐ and Nck‐interacting kinase (TNIK), the regulatory component of the Wnt pathway is responsible for the increase in the infiltrative capability of cancerous cells in CRC. The purpose of this study was to identify a phytochemical that could act as a drug to combat CRC by targeting TNIK. The TNIK model was docked against a dataset of 5000 phytochemicals using Molecular Operating Environment software which revealed seven‐candidate phytochemicals namely Berbamine, Epigallocatechin Gallate, Nimbothalin, Blepharocalyxin E, Rutin, BYCHRKNAQYPJPR‐DAZOONRXSA‐N and Blepharocalyxin B as potential inhibitor of TNIK. The Berbamine, Nimbothalin, and Epigallocatechin Gallate were selected for MD simulation study ascribed to sound pharmacokinetic features and propitious ADMET properties. Further studies are required to scrutinize these phytochemicals as a mainstream drug for TNIK in colorectal cancer. [ABSTRACT FROM AUTHOR]

Published
2023
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12. CDK1 and HSP90AA1 Appear as the Novel Regulatory Genes in Non-Small Cell Lung Cancer: A Bioinformatics Approach

Author

Bhattacharyya, Nirjhar, primary, Gupta, Samriddhi, additional, Sharma, Shubham, additional, Soni, Aman, additional, Bagabir, Sali Abubaker, additional, Bhattacharyya, Malini, additional, Mukherjee, Atreyee, additional, Almalki, Atiah H., additional, Alkhanani, Mustfa F., additional, Haque, Shafiul, additional, Ray, Ashwini Kumar, additional, and Malik, Md. Zubbair, additional

Published
2022
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15. Investigating the potential of natural compounds as novel inhibitors of SARS-CoV-2 RdRP using computational approaches.

Author

Bagabir SA

Abstract

COVID-19 is a highly contagious disease caused by SARS-CoV-2. Currently, no vaccines or antiviral treatments are available to combat this deadly virus; however, precautions and some repurposed medicines are available to contain COVID-19. RNA-dependent RNA polymerase (RdRP) plays an important role in the replication or transcription of viral mechanisms. Approved antiviral drug such as Remdesivir has shown inhibitory activity against SARS-CoV-2 RdRP. The purpose of this study was to carry out a rational screening of natural products against SARS-CoV-2 RdRP, which may serve as a basis to develop a treatment option against COVID-19. For this purpose, a protein and structure conservation analysis of SARS-CoV-2 RdRP was performed to check mutations. A library of 15,000 phytochemicals was developed from literature review, ZINC database, PubChem and MPD3 database; and was used to performed molecular docking and molecular dynamics simulation (MD) analysis. The top-ranked compounds were subjected to pharmacokinetic and pharmacological studies. Among them, top 7 compounds (Spinasaponin A, Monotropane, Neohesperidoe, Posin, Docetaxel, Psychosaponin B2, Daphnodrine M, and Target Remedesvir) were noticed to interact with the active site residues. MD simulation in aqueous solution suggested conformational flexibility of loop regions in the complex to stabilize the docked inhibitors. Our study revealed that the studied compounds have potential to bind to the active site residues of SARS-CoV-2 RdRP. Although, this computational work is not experimentally determined but the structural information and selected compounds might help in the design of antiviral drugs targeting SAR-CoV-2 by inhibiting the activity of SARS-CoV-2 RdRP.

Published
2023
Full Text
View/download PDF

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