Research and Reviews : Journal of Computational Biology
Volume 12, Issue 3 (2023)
Published
Table of contents
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Structure based pharmacophore Modelling of compounds against Neurodegenerative disorder – Amyotrophic Lateral sclerosis
Abstract: Amyotrophic lateral sclerosis (ALS) is a devastating neurodegenerative disease characterized by the progressive degeneration of motor neurons, leading to muscle dysfunction, paralysis, and eventually death. These diseases are classified as ALS variations because autopsies reveal abnormalities in both upper and lower motor neurons. These disorders account for only 10% of all adult-onset motor neuron disease cases. Despite extensive research efforts, effective therapeutic interventions for ALS remain limited. Structure-based pharmacophore modeling …
Published in Research and Reviews : Journal of Computational Biology · Vol. 12, Issue 3, 2023 · pp. 1–17 Read article
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Soursop Phytocompounds as Potential Anticancer Agents: A Molecular Docking Study
Abstract: Objective: According to tumor statistics, there will be a total of approximately 1,958,310 new malignancy cases, that balances to nearly 5,370 cases day by day. Without any questions its clearly evident that cancer is considered as one of the deadliest diseases of mankind. The course of this study emphasizes on computational approach for finding new drug for potential target proteins Bcl-2 (4MAN) and Mcl-1(5FDO) by docking against soursop (Annona Muricata …
Published in Research and Reviews : Journal of Computational Biology · Vol. 12, Issue 3, 2023 · pp. 18–39 Read article
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INVESTIGATING PHYTOCHEMICAL INHIBITORS OF PSEUDOMONAS AERUGINOSA'S AHL SYNTHASE LASI: A PATH TOWARD NOVEL THERAPEUTIC AGENTS
Abstract: Objectives: This study intended to explore the potential of phytochemicals from Allium sativum to inhibit AHL synthase LasI, a critical protein of the Quorum Sensing (QS) pathway in Pseudomonas aeruginosa, with the ultimate objective of developing therapeutic agents for managing P. aeruginosa infections. Methods: The physicochemical properties, toxicity, aggregation ability and binding potential of phytochemicals from Allium sativum to the protein AHL synthase LasI were determined. Physicochemical properties, toxicity and …
Published in Research and Reviews : Journal of Computational Biology · Vol. 12, Issue 3, 2023 · pp. 40–54 Read article
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Investigating Curcumin Phytocompounds as Prospective Parkinson's Disease Therapeutic Agents: A Computational Method that Targets LRRK2 Protein
Abstract: Objective: Parkinson’s Disease is the second stage predominant neurodegenerative illness. Primary aetiology is still unknown. One of the biggest battlegrounds in modern medicine is discovering the cause of Parkinson’s disease (PD), as well as the hunt for palliative treatments and, if feasible, a cure. The objective of this work is to identify the phytocompounds from curcumin (curcuma longa) for the treatment of PD. Curcumin, a well-researched phytochemical, has been suggested …
Published in Research and Reviews : Journal of Computational Biology · Vol. 12, Issue 3, 2023 · pp. 55–67 Read article
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Computational Examination of Curcumin Derivatives as Promising Inhibitors for BRCA1 and BRCA2 Proteins in Breast Cancer Treatment
Abstract: Objective: Breast cancer is a major problem for global health and one of the most popular and dangerous diseases. Data from the National Cancer Registry Program (NCRP) of the National Center for Disease Informatics and Research (NCDIR), an arm of the Indian Council of Medical Research (ICMR) in Bangalore, India, shows that an estimated 1,461,427 new cancer cases will occur… Conditions in India by 2022. Among these conditions, breast cancer …
Published in Research and Reviews : Journal of Computational Biology · Vol. 12, Issue 3, 2023 · pp. 68–87 Read article