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78 articles for “drug screening”
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In Silico Analysis and Molecular Docking Studies of COX-2 Inhibitors for Anti-Inflammatory Activity
Abstract: Although nonsteroidal anti-inflammatory drugs (NSAIDs) are frequently used to treat pain, lower fevers, and control inflammation, they frequently cause gastrointestinal side effects because they inhibit the COX-1 and COX-2 enzymes. Despite their effectiveness and lack of gastrointestinal side effects, selective COX-2 inhibitors have been linked to cardiovascular risks. To find new COX-2 inhibitors that are safer and more effective, this study uses in silico techniques, such as molecular docking and …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 1, 2025 · pp. 38–55 Read article
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AI in Healthcare: Drug Delivery in Tuberculosis
Abstract: Tuberculosis (TB) , mainly caused by Mycobacterium tuberculosis, remains a major global health burden, accounting for millions of new infections and deaths each year. Although progress has been made in diagnosis and treatment, the growing threat of multidrug-resistant (MDR) and extensively drug-resistant (XDR) TB makes disease control increasingly difficult. Conventional diagnostic approaches such as chest X-rays, sputum smear microscopy, and culture methods continue to play an important role, but they …
Published in Trends in Drug Delivery · Vol. 13, Issue 1, 2026 · pp. 9–17 Read article
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Review of Ayurvedic Drugs on Acid-peptic Diseases Regarding Its Personalized Management
Abstract: Acid-peptic Disease (~Amlapitta) is an illness wide-spread all around the world. In Ayurveda, Vidahi (which cause burning) and Pitta (dosha responsible for metabolic activities) aggravating diet and stressful –sedentary life-style has been stated as one of the leading cause for acceleration of Amlapitta. Detailed reviewing of drugs given in Ayurvedic texts are done according to specific stage of disease, Amlapitta Dosha predominance, chronicity, associated conditions, dosage, Anupana etc. Screening the …
Published in Journal of AYUSH: Ayurveda, Yoga, Unani, Siddha and Homeopathy · Vol. 13, Issue 2, 2024 · pp. 24–38 Read article
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Exploring The Multitarget Pharmacological Mechanism of Diabex for T2dm by Combining Network Pharmacology and Molecular Docking Techniques
Abstract: Objective: Hyperglycemia brought on by an absolute or relative absence of insulin synthesis or action characterises a set of illnesses known as diabetes mellitus. Chronic hyperglycemia in diabetes mellitus has been linked to organ damage, heart, and blood vessels. The persistent metabolic condition Diabetes is a severe global issue with negative social, health, and economic effects. It is a type of metabolism disorder that interferes with food digestion in the …
Published in International Journal of Bioinformatics and Computational Biology Read article
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Precision Medicine for Neurofibromatosis Type 1: Progress and Prospects in Drug Discovery
Abstract: Objective: The development of neurofibromas, café-au-lait spots, and other neurological problems are the hallmarks of neurofibromatosis type 1 (NF1), a hereditary disorder. The dearth of efficacious pharmaceutical therapies underscores the need for novel therapeutic approaches, even in the face of clinical variability. Through very accurate prediction of the binding affinity of possible therapeutic drugs with the target protein, the computational technique known as “molecular docking” has become a potent tool …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 1, 2024 · pp. 01–15 Read article
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Targeting Papain-Like Protease of Re-Emerging Coronaviruses
Abstract: Re-emerging Corona viruses (CoVs), including SARS-CoV (S-CoVs), and SARS-CoV-2 (S-CoV-2), continue to pose a global health threat due to their high mutation rates, zoonotic spillover potential, and capacity for immune evasion. The global pandemic of year 2019, caused by S-CoV-2, has highlighted the importance for robust antiviral strategies beyond vaccines and RNA polymerase or main protease inhibitors, which are susceptible to resistance. One promising therapeutic target is the S-CoV-2 papain-like …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 15, Issue 3, 2025 · pp. 46–62 Read article
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Molecular Docking and Pharmacokinetic Profiling of the Phytocompounds of Jatropha curcas as Antagonist for Salmonella typhi
Abstract: Background: Typhoid is an infection caused by the Gram-negative bacterium, Salmonella enterica serovar typhi. The study assessed the potential use of Jatropha curcas as a typhoid fever therapy alternative to traditional medications. The ability to uncover novel drug indications for currently available medications using in silico methods has increased thanks to the wealth of pharmacological and biological knowledge that is available. Objective: In this study, we assessed the potential inhibitory …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 1, 2023 · pp. 67–81 Read article
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Evaluation of the anti diabetic effects of ethanolic root extract from polyalthania longifora in diabetic rats induced by streptozotin and nicotinamide with considaertion of toxocological aspects
Abstract: The root of Polialthia Longifolia was selected for the evaluation of antidiabetic potential in STZ-nicotinamide induced diabetic rat model.The root extract was extracted by hot percolation using ethanol as a solvent in soxhlet apparatus and the preliminary phytochemical screening was performed and it shows that the ethanolic root extract of Polialthia Longifolia contains alkaloids, glycosides, flavonoids and tannins. Safety profile is essential for the drugs obtained from the plant origin. …
Published in Research and Reviews: A Journal of Toxicology · Vol. 14, Issue 1, 2024 · pp. 37–50 Read article
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Molecular Docking Study: Targeting mycobacterium leprae ML2640 Protein Using Active Compounds from Coscinium fenestratum
Abstract: Objectives: Leprosy is an infectious disease in skin, peripheral nerve and mucosa of upper airway. Around 70% of this infection is caused by Mycobacterium leprae, which was discovered during1873. Multi drug therapy is used for the treatment, still multiple drug resistance and reactions has been reported among patients. Hence, this work focused on identifying bioactive compounds from Coscinium fenestratum that can target mycobacterium leprae ML2640 protein by in-silico approach. Method: …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 1, Issue 2, 2023 · pp. 21–33 Read article
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Valeton Phytoconstituents from Curcuma Phaeocaulis as Prion Protein Mutant V210I Inhibitors: A Computational Docking and Virtual Screening Study
Abstract: Objective: Creutzfeldt-Jakob disease (CJD), a neurological disorder that is sporadic, fatal, communicable, and worsens rapidly, is caused by abnormal folding of prion proteins. Identifying and assessing the potential of phytocompounds from the Curcuma phaeocaulis Valeton plant as a new therapeutic candidate aimed at the treatment of CJD is the objective of this research article. Methods: In this experiment, we assessed outcomes following an in-silico assessment to design a new oral …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 1, Issue 2, 2023 · pp. 1–16 Read article
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Prediction of Molecular Targets for Anthraquinone and Its Analogs for Treatment of Good Pasteur Syndrome
Abstract: Objective: In order to find prospective molecular targets for the treatment of Good Pasteur Syndrome (GPS), a rare autoimmune disease that affects the kidneys and other organs, computational methods and network pharmacology were applied in this work. The goal of the study is to identify particular human proteins that might interact with anthraquinone and its analogues as well as to uncover potential mechanisms of action by which these drugs might …
Published in International Journal of Bioinformatics and Computational Biology Read article
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Thalassemia and its management – A review article
Abstract: Thalassemia is a hemoglobinopathy burdening India making it earn title of Thalassemia capital of world. Studying last decade, the overall prevalence worldwide and incidence rates have declined but prevalence rates were high in east and Southeast Asian countries. Screening for carriers and affected individuals and genetic counselling are promising approaches for reducing soaring cases and reducing the further spread. Thalassemia affects various organs due to iron overload and haemolysis leading …
Published in International Journal of Tropical Medicines · Vol. 2, Issue 1, 2025 · pp. 60–73 Read article
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Integrating Network Pharmacology and Molecular Docking to Investigate Boerhavia diffusa for Pancreatic Cancer Treatment
Abstract: Objective: In this study, network pharmacology was applied to determine the therapeutic effects of the bioactive compounds of Boerhavia diffusa. Network pharmacology can unearth the underlying mechanisms between drugs and the disease targets and aids in the discovery of novel medications for complex conditions such as cancer. Methods: To predict the molecular mechanisms of action of Boerhavia diffusa in the treatment of was screened using the GeneCards database. The Venn …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 1, 2024 · pp. 29–49 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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Exploring Chocolate’s Potential: A Review of Its Role in Drug Delivery and Health Benefits
Abstract: The abstract explores the versatile nature of chocolate, highlighting its role as a medium for drug delivery systems due to its resistance to microbial growth and rich nutritional profile. Medicated chocolate, infused with drugs, offers a palatable solution to enhance patient compliance, particularly among children, while stimulating serotonin production for added therapeutic benefits. Cocoa, abundant in polyphenols, contributes to chocolate's health advantages, including cholesterol reduction and cardiovascular health. Scientific evidence …
Published in Trends in Drug Delivery · Vol. 11, Issue 2, 2024 · pp. 16–24 Read article
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Molecular Docking Studies of Nyctanthes arbor-tristis Phytochemicals for Targeting TNF Receptor in Arthritis
Abstract: Rheumatoid Arthritis is an autoimmune disorder which results in inflammation. Tumor necrosis factor-alpha (TNF-α) is responsible for the progression of inflammatory arthritis by promoting immune cell activation and cytokine release. The present study explores the potential of bioactive compounds derived from Nyctanthes arbor-tristis (Parijat) in modulating TNF receptor activity through molecular docking. Computational methods were employed to evaluate the binding affinity of selected phytocompounds from N. arbor-tristis against the extracellular …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 11–21 Read article
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In-Silico Studies of Phytochemicals from Allium sativum with H5N1 Protein in Avian Influenza
Abstract: Allium sativum or garlic is a medicinal plant that is reported for its applications in many biological activities, such as its antiviral, antidiabetic, and anti-inflammatory properties, etc. In this paper, the focus has been the identification of potential phytochemicals that can be extracted from Allium sativum that can act as a candidate for drug formation that possesses the capability to inhibit the H5N1 Avian Influenza, a type of highly pathogenic …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 2, 2024 · pp. 50–60 Read article
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Assessment of Diuretic Activity of Hydroalcoholic Extract of Matricaria Chamomilla (Linn.) and Its Phytochemical Analysis with Emphasis on Toxicology
Abstract: While the traditional medicines are derived from medicinal plants, minerals and organic matter, the herbal drugs are prepared from medicinal plants only. This current research work will be very beneficial in figuring out the Matricaria chamomilla leaves extract diuretic effect by determining the ions and electrolyte excreted by the animals using ion selective channel inhibition. The phytochemical screening results revealed that the after which it was observed whether the alkaloids …
Published in Research and Reviews: A Journal of Toxicology · Vol. 14, Issue 1, 2024 · pp. 1–10 Read article
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Clinical Trial to Find the (Asbab) Aetiology and (Ilaj) Treatment of (Marz-e-Akyās Khusyat-ur-Rahim) Polycystic Ovarian Syndrome (PCOS)
Abstract: Introduction: Polycystic Ovarian Syndrome (PCOS) is common endocrine disorder. It is clinically defined as the syndrome characterized by amenorrhoea, hirsutism and obesity associated with polycystic ovaries. Diagnosis is made on the Rotterdam criteria, established in 2003. The criteria require the presence of 2 of the following 3 criteria: 1. Oligo-ovulation or an ovulation. 2. Hyperandrogenism. 3. Polycystic ovaries through ultrasound evaluation. Methods: Diagnosed patients were enrolled in the trial into …
Published in Research & Reviews : A Journal of Unani, Siddha and Homeopathy · Vol. 12, Issue 3, 2025 · pp. 30–37 Read article
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Tinospora Sinensis Compounds for Zika Virus Targets 5JRZ and 5KVD In Silico Screening: A Potential Approach to Preventing Guillain-Barre Syndrome
Abstract: Objective: GBS is a very rare kind of disease but at the same time, it is very dangerous too. The study estimates that people who are suffering from zika virus infection are more prone to GBS. According to surveys, 1 out of 4000 people got affected by this disease, and the scariest part of this disease is that there is no cure available. In this computational era drug discovery is …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 2, 2023 · pp. 1–15 Read article