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175 articles for “natural compounds”
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Exploring the Role of MAPK3 in Major Depressive Disorder: Molecular Docking, Dynamics, and Binding Free Energy Analysis of Natural Compounds as Alternatives to Conventional Drugs
Abstract: Major Depressive Disorder (MDD) is a prevalent neuropsychiatric disorder with limited treatment efficacy and significant side effects associated with conventional antidepressants. Recent studies have highlighted the role of mitogen-activated protein kinase 3 (MAPK3) in the mechanisms underlying MDD, positioning it as a potential target for the development of novel therapeutic drugs. In this study, we employed various computational approaches to explore natural compounds as viable alternatives to synthetic antidepressants. Researchers …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 53–68 Read article
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Unveiling Nature’s Potential: In Silico Exploration and Identification of Herbal Remedies for Major Depressive Disorder Through Molecular Interaction Studies
Abstract: Major depressive disorder (MDD), a globally discussed mental health condition, has drawn significant attention because of its unique and intricate nature. This is marked by the enduring presence of negative emotions stemming from a lack of interest, diminished self-esteem, and excessive rumination. Despite the widespread availability of various antidepressant medications, their effectiveness is hindered by low response rates, prolonged treatment durations, and the prevalence of side effects, such as headaches, …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 1, 2024 · pp. 54–62 Read article
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The Role of Natural Products in Antiviral Drug Discovery: Insights into Mechanisms and Therapeutic Potential
Abstract: Drug discovery has always relied heavily on natural sources, especially when it comes to creating antiviral medications. This review explores the therapeutic potential of various natural products, including plant extracts, marine compounds, and microbial metabolites, in the fight against viral infections. We examine the mechanisms of action by which these natural compounds exert their antiviral effects, including direct inhibition of viral replication, modulation of host immune responses, and interference with …
Published in International Journal of Virus Studies · Vol. 1, Issue 2, 2024 · pp. 36–47 Read article
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In-Silico Screening of Phytochemicals for Identification of Alternative Therapy for Thyroid Cancer
Abstract: Thyroid cancer remains a significant health concern globally, necessitating the exploration of novel therapeutic alternatives to improve treatment outcomes. This study targets COT kinase (Cancer Osaka Thyroid Kinase), a protein implicated in the progression of thyroid cancer, using molecular docking methods with various phytochemicals to identify potential therapeutic compounds. PyRx and Discovery Studio were employed to evaluate the interactions and binding affinities of a diverse set of natural compounds with …
Published in International Journal of Toxins and Toxics · Vol. 2, Issue 2, 2025 · pp. 31–55 Read article
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Formulation and Evaluation of Aqueous Azadirachta indica Phytosome
Abstract: A phytosome is a complex created through the union of a natural compound, typically a plant extract, with a phospholipid. Phospholipids play a crucial role in cell membranes, possessing a structure comprising a hydrophilic (water-attracting) head and hydrophobic (water-repelling) tails. This distinctive structure enables phospholipids to construct lipid bilayers, fundamental elements of cell membranes. Phytosome increases the bioavailability, and absorption of active chemical constituents in the extract with the help …
Published in Research & Reviews: A Journal of Pharmacognosy · Vol. 11, Issue 1, 2024 · pp. 17–30 Read article
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In Silico Assessment of Demethoxycurcumin: Molecular Docking and Computational Insights into its various therapeutic Potential
Abstract: Natural compounds are increasingly explored for their therapeutic potential in medical research. Here, we focused on demethoxycurcumin (DMC), a polyphenolic bioactive compound extracted from Curcuma longa, commonly found in turmeric. DMC, with a chemical formula of C20H18O5 and a molecular weight of 340 g/mol, possesses two aromatic ring systems, each featuring a β-diketone moiety connected by a seven-carbon chain. This unique structure allows DMC to engage in tautomerism, which is …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 11, Issue 1, 2024 · pp. 9–15 Read article
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Organic Compounds as Anti-inflammatory Agents, Natural and Synthetic
Abstract: Inflammation diseases still threaten humanity everywhere. For which there is always a continuous demand for immediate medication, the so-called anti-inflammatory drug. Anti-inflammatory organic compounds are either of natural origin or synthetic. Many drugs represent the main constituent of plants. Turmeric, ginger, garlic, spinach, broccoli, ginseng, blueberries, clove, Aloe Vera and pineapple all are plants almost rich in anti-oxidant and flavonoids that reduce inflammation. Researchers still have spent decades of years …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 1, 2026 · pp. 05–18 Read article
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Stilbenes: A Molecular Docking and ADMET Analysis Approach on an Emerging Resource for Scavenging Reactive Oxygen Species in the Field of Colon Malignancy
Abstract: Objective: Colon malignancy, also referred to as colon cancer, originates as precancerous polyps in the colon or rectum, which have the potential to thrive and progress into cancerous tumors over time. This study delves into various bioactive compounds (from natural sources like plants) to assess their potential efficacy in inhibiting colon malignancy as compared to conventional methods. Methods: The objective of this study was to employ computational methodologies to evaluate …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 14, Issue 3, 2024 · pp. 29–38 Read article
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Jabuticaba Skin Flour AsA Functional Food Ingredient: Phenolic Profile, Antioxidant Potential and Functional Technological Properties
Abstract: Brazilian-native fruit, jabuticaba, is a member of the Myrtaceae family that is typically consumed naturally. The jabuticaba skin flour (JSF) is rich in phenolic compounds, the most active antioxidants present in plants, being able to stop oxidative damage and reduce the risk of oxidative stress linked to different degenerative diseases, thus become interesting to the consumer. Despite all this antioxidant potential, little is known about their characterization and about the …
Published in Research & Reviews : Journal of Food Science & Technology · Vol. 13, Issue 3, 2024 · pp. 01–08 Read article
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Harnessing Nature: Formulations for Colon Cancer Prevention and Treatment
Abstract: Colon cancer, a rapidly advancing disease worldwide, involves the carcinogenesis of the distal part of the intestine. This malignancy progresses through various developmental stages necessitating diverse treatment approaches. Traditional treatments include drug therapy and chemotherapy; however, emerging methods, such as the use of phytochemical compounds offer promising mechanisms for combating this disease. Phytochemical compounds derived from natural food sources, including flavonoids, tannins, resveratrol, and epigallocatechin-3-gallate, exhibit potent anti-cancer properties. They …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 14, Issue 3, 2024 · pp. 11–23 Read article
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Innovation in Phytomedicine: From Ancient Remedies to Modern Therapies
Abstract: Phytomedicine, the use of plant-derived substances for therapeutic purposes, has evolved from a ncient herbal remedies to modern clinical applications, significantly influencing healthcare practices worldwide. This review explores the historical context of phytomedicine, highlighting its roots in ancient civilizations such as Egypt, China, and India, where plants were recognized for their healing properties. We discuss key innovations in the field, including advancements in pharmacognosy, clinical research, and biotechnology, which have …
Published in Research & Reviews : Journal of Herbal Science · Vol. 14, Issue 1, 2025 · pp. 24–33 Read article
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Secondary Metabolites in Drug Development: Tracing Their Historical and Therapeutic Impact
Abstract: Secondary metabolites, also known as natural products, exhibit a level of structural and chemical diversity unmatched by synthetic small molecule libraries. These compounds, which have evolved to possess drug-like properties, continue to be a primary source for new medications and drug leads. Their discovery has significantly impacted advancements in chemistry, biology, and medicine, influencing drug development and therapeutic strategies throughout history. Derived from primary metabolic pathways such as photosynthesis, glycolysis, …
Published in Emerging Trends in Metabolites · Vol. 1, Issue 2, 2024 · pp. 51–55 Read article
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Nutraceuticals as Adjunctive Treatment in Cancer Exploring Efficacy and Mechanism of Action
Abstract: Dietary habits are a critical factor in cancer prevention, with plant-based diets rich in vegetables and fruits associated with reduced cancer risk. Nutraceuticals—bioactive compounds derived from food and supplements—have gained attention for their potential in cancer prevention and therapy. Phytochemicals such as flavonoids, polyphenols, and alkaloids exhibit anti-cancer properties through mechanisms including antioxidant activity, anti-inflammatory effects, inhibition of tumor growth, and induction of apoptosis. Key nutraceuticals include alkaloids (e.g., caffeine, …
Published in Research & Reviews: A Journal of Pharmacognosy · Vol. 12, Issue 1, 2025 · pp. 35–45 Read article
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In Silico Analysis and Docking Study of the Active Phyto Compounds of Ginkgo Biloba Against Alzheimer's Amyloid-Beta Protein
Abstract: Objective: Alzheimer's disease, an age-related progressive neurological condition, arises due to the accumulation of amyloid-beta protein within the brain. In this study, an attempt was made to explore the potential of natural compounds derived from Ginkgo, known for their diverse medicinal properties, in the prevention of the disorder by employing molecular docking techniques, conducting drug-likeness prediction assessments, and performing ADME analysis. Methods: Amyloid beta protein was retrieved from the PDB …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 2, 2023 Read article
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A Comprehensive Review on Pharmacological Properties of Coumarins
Abstract: Coumarins are a diverse group of secondary metabolites found in a variety of plant species (over 1200 different coumarins have been identified from natural sources, especially plants), as well as in fungi and microorganisms. Coumarin is a simple, widely occurring chemical structure in nature, present in many plants, fungi, and bacteria. In recent years, these natural compounds have attracted growing interest from the scientific community due to their broad spectrum …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 2, 2024 · pp. 12–17 Read article
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A Computational Study to Elucidate the Phytochemicals as An Antagonist Against Pruritis in Psoriasis
Abstract: Objective: Psoriasis is a chronic, non-contagious, auto-immune skin disorder that causes inflammation, pain, and itching in the affected areas. The etiology of this condition is not entirely understood, and while there are treatments available to manage the symptoms, there is currently no cure. The Transient receptor potential cation channel, subfamily Vanillin, member 3 (TRPV3), present in keratinocytes, allegedly had a part in the development of psoriasis-related pain and itching. Specifically, …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 1, Issue 2, 2023 · pp. 49–61 Read article
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Computational Screening of Vitex negundo Compounds for Potential Arthritis Therapies in India
Abstract: Objective: Arthritis is a pervasive medical condition that manifests as inflammation and discomfort within the joints. As of September 2021, arthritis has affected an estimated 180 million people in India, making it a substantial public health concern with a considerable impact on individuals' quality of life and healthcare systems. Therefore, using molecular docking, drug-likeness prediction, and ADME analysis, an effort was made to identify natural compounds from Vitex negundo, which …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 1, 2024 · pp. 01–18 Read article
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Plant Bioactive Metabolites and Their Role in the Prevention and Control of Dental Diseases and Infections.
Abstract: The oral diseases, including dental caries and periodontitis, affect masses worldwide, and have historically been managed with synthetic antimicrobials that cause deleterious side effects, leading to mounting bacterial resistance. Consequently, contemporary dentistry is rapidly shifting toward phytomedicine using plant bioactive molecules, such as polyphenols, terpenes, anthraquinones (berberin, eugenol, curcumin, catechins, allicin, and azadirachtin. These compounds offer potent antimicrobial, anti-inflammatory, and tissue-regenerative properties that are crucial for preventing and curing dental …
Published in Emerging Trends in Metabolites · Vol. 3, Issue 1, 2026 · pp. 47–66 Read article
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Exploring the Therapeutic Potential of Phytochemicals in Aloe Barbadensis Miller Through Molecular Docking for Ulcerative Colitis Management
Abstract: Ulcerative colitis (UC) is a chronic inflammatory bowel disease characterized by mucosal inflammation of the colon, often associated with immune dysregulation and oxidative stress. Natural compounds have gained significant attention as alternative therapeutic agents due to their efficacy and minimal side effects. Quercetin, a flavonoid abundantly found in Allium cepa (onion), has demonstrated potent anti-inflammatory and antioxidant properties. This study employs an in silico approach to evaluate the therapeutic potential …
Published in Research & Reviews: A Journal of Pharmacognosy · Vol. 13, Issue 1, 2026 · pp. 06–12 Read article
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A Molecular Docking Study: Targetting HIV-1 Integrase Protein Against Selected Phytocompounds from Calophyllum Lanigerum
Abstract: Objectives: The most common form of HIV that causes AIDS is HIV-1. The World Health Organization has estimated roughly 75 million plus HIV-1 infections till date and roughly 40 million deaths (as of 2021). Thus, this study was done to identify natural compounds from Calophyllum lanigerum, a medicinal plant largely endemic to South-East Asia, to inhibit the spread of this disease. It did so by using molecular docking methods, Lipinski …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 2, 2023 · pp. 43–55 Read article