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618 articles for “Drug–protein interactions (DPIs)”
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Molecular Docking Analysis of Phytocompounds from Ficus hispida Against Epidermal Growth Factor Receptor Kinase Domain
Abstract: The Epidermal Growth Factor Receptor (EGFR) kinase domain plays a key role in cancer, as it promotes tumour growth and helps cancer cells survive, making it an important focus for developing treatments. Through comprehensive computational analysis, this study investigates the anticancer potential of phytocompounds from Ficus hispida, a medicinal plant renowned for its diverse bioactive compounds, as novel EGFR inhibitors. Molecular docking techniques using Py Rx software were employed to …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 48–62 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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Effectiveness of Temporins for the Treatment of HPV Infections
Abstract: Objectives: Human papillomavirus (HPV), especially high-risk variants like type-16 have been linked to the formation of malignant tumors. HPV-16 has been implicated in most cases of cervical cancer in women. This study aims to assess the effectiveness of three types of temporin molecules, i.e., antiviral peptides secreted by certain frog species, for the inhibition of the viral L1 protein. Methods: In the present study, various computational tools were used to …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 2, Issue 1, 2024 · pp. 41–53 Read article
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Cosmetic Topical Formulations: Design Strategies, Skin Interaction Mechanisms, Clinical–Cosmetic Applications, and Emerging Trends
Abstract: Cosmetic topical products are central to modern skin care, as they deliver active ingredients directly to the skin surface and upper layers to improve appearance, texture, and function. By acting locally on the epidermis and adnexal structures, these preparations help manage dryness, photoaging, pigmentation, acne, and sensitive-skin conditions while minimizing systemic exposure. A wide range of dosage forms—creams, lotions, gels, ointments, serums, sprays, and transdermal-inspired cosmetic patches—are engineered to modulate …
Published in Recent Trends in Cosmetics · Vol. 3, Issue 2, 2026 · pp. 39–47 Read article
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Design and Creation of Four-wheel Non- interaction Navigation Machinery
Abstract: Here we are trying to improve the steering mechanism, by rotating all 4-wheels to reduce the radius of rotation. This is a Mechatronics based project where different sensors and actuators has to employed. Electronic controller unit is going to be act as the vital element of this project through which the complete steering system has to be controlled. This electronic controller receives analog signal from the user and convert it …
Published in International Journal of Machine Systems and Manufacturing Technology · Vol. 1, Issue 1, 2023 · pp. 35–44 Read article
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Grid based docking study of some 2-(4-methylsulfonyl phenyl) pyrimidine derivatives (designed after QSAR studies) with Cyclooxygenase
Abstract: Molecular docking helps in studying drug/ligand or receptor/ protein interactions by identifying the suitable active sites in protein, obtaining the best geometry of ligand-receptor complex and calculating the energy of interaction for different ligands to design more effective ligands. In Grid based docking, after unique conformers of the ligand are generated, the receptor cavity of interest is chosen and a grid is generated around the cavity. Cavity points are found …
Published in International Journal of Antibiotics · Vol. 1, Issue 1, 2024 · pp. 23–41 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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Crystalline and Polymeric Interactions in Multi- layered Bulletproof Glass: A Study of Ballistic Resistance and Structural Integrity
Abstract: Bulletproof glass is engineered to withstand high-impact projectiles, offering a critical line of defense in various industries such as banking, military, and armored vehicles. This study explores the structural composition, energy absorption mechanisms, and performance characteristics of bulletproof glass when exposed to ballistic threats. The glass consists of layered constructions, often involving polycarbonate and adhesive interfaces such as polyvinyl butyral, which enhance its energy absorption and resistance to projectiles. The …
Published in International Journal of Crystalline Materials · Vol. 1, Issue 2, 2024 · pp. 10–17 Read article
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Amlodipine induced peripheral edema and gingivitis – A case report.
Abstract: Calcium channel a group of drugs used to treat heart disorders are called blockers. These drugs dilate blood vessels and improve blood flow to heart, these works by preventing calcium flow through ion -specific (L- type) calcium channels in the cell membrane. Amlodipine, a calcium channel blocker in the dihydropyridine class, can cause peripheral edema and drug-induced gingivitis in some patients. In this case, the patient experienced swelling in the …
Published in International Journal of Tropical Medicines · Vol. 2, Issue 1, 2025 · pp. 45–49 Read article
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Tobacco and COVID-19: Molecular Interactions and Public Health Challenges – A Review
Abstract: Tobacco use exacerbates health risks, making it a significant concern during the COVID-19 pandemic. Smoking has been implicated in the upregulation of ACE2 receptors, critical for SARS- CoV-2 entry, and contributes to immune dysregulation and oxidative stress, worsening clinical outcomes. Methods: This review synthesizes evidence on the molecular mechanisms linking tobacco and COVID-19, assesses risk factors, such as smoking status and comorbidities, and explores public health challenges in managing the …
Published in International Journal of Virus Studies · Vol. 2, Issue 1, 2025 · pp. 1–6 Read article
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Design, Synthesis, and Spectroscopic Elucidation of 3-Methyl-1-Phenylpyrazol-5-One: A Cheminformatics-Aided Approach to Heterocyclic Drug Scaffolds
Abstract: Pyrazolone, a notable heterocyclic compound, has drawn increasing interest due to its broad pharmacological profile and structural versatility. The synthesis, characterisation, and biological assessment of new pyrazolone derivatives are examined in this work. A comprehensive review of existing synthetic strategies is presented, emphasizing green and efficient methodologies. Novel derivatives were synthesized using varied starting materials and catalytic systems, followed by structural confirmation through spectroscopic analyses, including NMR, IR, and mass …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 29–40 Read article
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Nanotechnology meet phytomedicine towards smarter drug delivery system.
Abstract: Using bioactive substances derived from plants, or phytomedicine, has long shown promise in treating a variety of illnesses with fewer adverse effects than synthetic medications. Nevertheless, a lot of phytochemicals have issues with inadequate targeting in vivo, low bioavailability, poor solubility, and chemical instability. By enabling encapsulation, controlled release, targeted delivery, and stimuli responsive behavior, nanotechnology provides effective tools to get around these restrictions. This review examines the intersection of …
Published in International Journal of Toxins and Toxics · Vol. 3, Issue 1, 2026 · pp. 46–53 Read article
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Influence of Antibiotic Promotion Practices on Pharmacovigilance and Resistance Reporting Patterns
Abstract: The global escalation of antimicrobial resistance (AMR) has emerged as a critical public health crisis, undermining decades of therapeutic advancements. While inappropriate prescribing and misuse of antibiotics are widely acknowledged contributors, the role of pharmaceutical promotion practices remains underexplored in influencing prescribing behaviors and downstream pharmacovigilance systems. This review critically examines how antibiotic promotion strategies – ranging from direct physician engagement to digital marketing – affect adverse drug reaction (ADR) …
Published in International Journal of Antibiotics · Vol. 3, Issue 2, 2026 · pp. 1–11 Read article
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A Comprehensive Review on the Role of Antacids in the Management of Stomach Disorders
Abstract: Antacids are among the most widely used over-the-counter medications for the symptomatic management of acid-related gastrointestinal disorders, including dyspepsia, gastroesophageal reflux disease (GERD), gastritis, and peptic ulcer disease. These agents provide rapid relief by neutralizing gastric hydrochloric acid, thereby increasing intragastric pH and reducing mucosal irritation. In addition to their therapeutic benefits, the long-term and excessive use of antacids may be associated with adverse effects and toxicological concerns, including electrolyte …
Published in International Journal of Toxins and Toxics · Vol. 3, Issue 2, 2026 Read article
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Integrating Network Pharmacology and Molecular Docking to Assess Rutin’s Pharmacological Properties
Abstract: Objectives: In the present research, the network pharmacology process was applied to determine the underlying mechanism of the pharmacological properties of Rutin. Network pharmacology was utilized to reveal the interactions between medications and the targets of illnesses, and it is capable of completely articulating the complexity between diseases and medications. The identification of diverse drug-target interactions using network pharmacology may be utilized to discover novel medications for difficult conditions like …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 1, 2023 · pp. 20–33 Read article
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Melanogenic Inhibitory Effects of Sesamum indicum Phytocompounds Towards CDK 2, c-KIT, and BRAF.
Abstract: Objective: Melanoma is thought to be the fifth most frequent cancer in the US population, despite cancer being the most common cause of death in the globe. BRAF, CDK2, and c-KIT proteins are regarded as potential therapeutic agents since mutations in these proteins are the primary cause of melanoma. For the investigation of their pharmacological properties and therapeutic activities against the target proteins, Sesamum indicum L. and its phytocompounds were …
Published in International Journal of Bioinformatics and Computational Biology Read article
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Millets as a Sustainable Crop for Nutritional Security: Addressing Malnutrition Challenges
Abstract: Millets are cereal crops belonging to the Poaceae family, which is the scientific name for the grass family. They are classified into two main groups: major millets which include Sorghum, Pearl, Finger millet, and minor millets, such as Little, Foxtail, Proso, Barnyard, and Kodo millet. India is the chief producer of millets, with an annual production of more than 17 million tonnes. This accounts for 80% of Asia’s millet production …
Published in International Journal of Nutritions · Vol. 2, Issue 1, 2025 · pp. 33–46 Read article
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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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Investigating The Alkalizing Potential of Chandanasava For Restoring Acid-Base Homeostasis in Renal Tubular Acidosis: A Computational and In Silico Pharmacological Study
Abstract: Chandanasava, a traditional Ayurvedic formulation, is recognized for its potential alkalizing properties, which may help restore acid-base homeostasis in conditions such as renal tubular acidosis (RTA). This study aims to investigate the active components of Chandanasava and their interactions with key renal target proteins, Pendrin and Carbonic Anhydrase II, which are essential for maintaining acid-base balance. An in silico approach was utilized to explore the pharmacological potential of the phytochemicals …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 28–52 Read article
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Molecular Dynamics and Therapeutic Architectures of Cannabinoid Receptors: A Comprehensive Review
Abstract: Expanding on these foundations, recent structural biology studies using cryo-electron microscopy have provided high-resolution insights into the conformational dynamics of CB₁ and CB₂ receptors. These findings have enabled a more precise understanding of ligand–receptor interactions, particularly how agonists, antagonists, and reverse agonists stabilize distinct receptor states. Such knowledge is critical for rational drug design, allowing researchers to selectively modulate downstream signaling pathways. For instance, CB₁ receptors primarily couple to Gi/o …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 36–40 Read article