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318 articles for “active targeting”
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2D-QSAR (Quantitative Structure Activity Relationship) Study of Probable Inhibitors for Oral and Cervical Cancers, Generation of Model for Pharmacophore Prediction
Abstract: Twenty-four analogs, conjugates and congeners of curcumin reported as inhibitors against HPV 16 E6 and E7 protein targets have been selected for generating QSAR model. The 46 descriptors were calculated using Schrodinger program version quikprop 9.2. Two alternative methods have been used to generate QSAR models. The first model generation was built on 5 descriptors namely glob, QPlogS, CIQPlogS, IP (eV), human oral absorption which were subjected to multiple linear …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 5, Issue 1, 2018 · pp. 1–13 Read article
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Repurposing Approved Immunomodulatory Drugs for Target Proteins in the Pancreas of European eel: A Molecular Docking Approach
Abstract: Leishmaniasis is a disease caused by tiny parasites called Leishmania, which spread to humans through the bite of an infected female sand fly. The disease manifests in three different forms, and the protein calcitonin promotes the disease’s spread. By reducing blood calcium levels, inhibiting osteoclast activity, increasing calcium excretion, and possibly playing a role in neurotransmitter modulation, calcitonin, a hormone released by vertebrates, promotes the progression of pathogenesis and lessens …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 1, 2025 · pp. 12–19 Read article
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Environmental Analysis of Marine Sediment Properties From Diverse Ecological Zones Of Pondicherry, India: A Study Supporting SDG 15 For Coastal Ecosystem Conservation
Abstract: The Research regarding the ecosystem examines the impact of anthropogenic activities on soil conditions and water resources in the Vaigai reservoir catchment area, aligning with SDG 15's targets for sustainable terrestrial ecosystem management. The research investigates how industrialization, urbanization, and modern agricultural practices affect soil properties and water resource quality. Physical parameters (moisture content, specific gravity, plasticity) and chemical properties (pH, electrical conductivity) were analyzed, along with soil nutrient levels …
Published in OmniScience: A Multi-disciplinary Journal · Vol. 15, Issue 2, 2025 Read article
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Use of NMR and Other Spectroscopy Techniques in Heterocyclic Oxadiazole Derivatives Studies: A Review
Abstract: It was possible to create a number of novel symmetrical 2,5-dialkyl-1,3,4-oxadiazoles with substituents including carboxymethylamino, isopropyloxycarbonylmethylamino, and bromine at the terminal positions of the alkyl groups. The multistep process that was devised used hydrazine hydrate, phosphorus oxychloride, and commercially available acid chlorides that varied in alkyl chain length and terminal substituent.Diisopropyliminodiacetate was an easy way to substitute the intermediate bromine-containing 2,5-dialkyl-1,3,4-oxadiazoles. This was followed by hydrolysis in an aqueous methanol …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 2, Issue 1, 2024 · pp. 07–13 Read article
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Clinical Outcomes of Diode Laser Hemorrhoidoplasty and Excisional Hemorrhoidoplasty in Grade II–III Internal Hemorrhoids: A Randomized Clinical Study
Abstract: Hemorrhoidal disease is a common condition that affects the area around the anus and is found in many adults. Surgery is needed when there is repeated bleeding, when the hemorrhoids slip out of place, or when a blood clot forms. Although traditional surgery for hemorrhoids works, it often causes a lot of pain after the operation and takes longer to recover from. Laser hemorrhoidoplasty (LHP) is a newer, less invasive …
Published in Research and Reviews : Journal of Surgery · Vol. 15, Issue 2, 2026 · pp. 41–48 Read article
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Synthesis of new heterocyclic compounds containing nitrogen, sulphur and study their biological activity
Abstract: Several substituted pyridines with brominated coumarin and with other substituents were achieved by condensing brominated coumarin IV with 4-methoxybenzaldehyde in basic solution forming α,β-unsaturated ketone II. Hantzsch reaction of this ketone with β-ketoester to provide precursor substituted pyridines. The Hantzsch reaction product was subjected to different reactions. The other targeted heterocyclic compound was obtained by reaction of α,β-unsaturated ketone II with hydrazine carbothioamide to give substituted pyrazole with brominated coumarin, …
Published in Emerging Trends in Chemical Engineering · Vol. 8, Issue 3, 2021 · pp. 8–16 Read article
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In silico potential drug target identification against 4-aminobutyrate aminotransferase for Huntington diseases
Abstract: Huntington disease, HD is a progressive neurodegenerative disorder. Some excitatory chemicals released like glutamate which causes the cell damage and the neuron die due to over accumulation of the glutamate in Huntington diseases (HD), which is regulated by the GABA also known as gamma- amino butyric acid, it is a major inhibitory neurotransmitter of the nervous system. Here we are targeting the pyridoxal dependent enzyme which degrades the GABA neurotransmitter, …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 4, Issue 3, 2017 · pp. 1–5 Read article
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pH-Triggered In-Situ Nasal Gel Systems for Migraine Therapy: A Review
Abstract: Intranasal drug delivery has gained considerable attention as a non-invasive route for delivering drugs to both systemic circulation and the central nervous system, particularly for the treatment of migraine. Traditional nasal formulations such as sprays and drops often show poor therapeutic performance due to rapid mucociliary clearance and limited retention within the nasal cavity. To overcome these challenges, in-situ gel systems have been designed, which transform from a liquid to …
Published in Trends in Drug Delivery · Vol. 13, Issue 2, 2026 · pp. 10–25 Read article
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Chompound contaning oxadiazole derivatives and their potential therapeutic uses.
Abstract: Derivatives of oxadiazole or furadi azole rings constitute a significant class of heterocyclic substances. Oxadiazole is a heterocyclic, five-membered ring with two carbons, one oxygen atom, two nitrogen atoms, and two double bonds. They are produced by substituting two nitrogen (-N =) atoms for two methylene groups (= CH) in furan. The furan ring's aromaticity was significantly decreased by substituting these groups, resulting in a conjugated diene character. There were …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 15, Issue 1, 2024 · pp. 68–74 Read article
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Computational Software Assisted Multiple Therapeutic Targets Oriented Screening of Some Natural Alkaloid Compounds
Abstract: The current efforts endeavor towards the computational exploration of some interestingpharmacological potentials of some natural alkaloids by using the Schrodinger Maestro 9.1software. The excellence in therapeutics was screened against five most imperative targets:Cyclin-Dependent Kinase-5 (anti-cancer), Cycloxygenase-2 (anti-inflammatory), Proteinkinase C (anti-cancer), Dipeptidyl peptidase (anti-diabetic), and Angiotensin-1-ConvertingEnzyme (anti-hypertensive). The alkaloids which were previously reported to possessantibiotic activities against Bacillus subtilis, Staphylococcus aureus, and Mycobacteriumsmegmatis and anti-photo-oxidative, have now perceived to be multi-dimensional …
Published in Research and Reviews : Journal of Computational Biology · Vol. 8, Issue 2, 2019 · pp. 5–9 Read article
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Modern Biomaterials: Biologically Sensitive Hydrogel Materials
Abstract: Modern biomaterials and biological products are interacting at a more clearly defined interface. Hydrogels, a category of highly hydrated biomaterials, are significant. With interstitial voids that are up to 90% water by weight, hydrogels are made of elastic networks. They are created either physically or chemically by self-assembling building blocks that areeither created artificially or organically. Macromolecules in a range of structures, such as cross-linked polymers, entangled fibrillar networks, or …
Published in Journal of Catalyst & Catalysis · Vol. 9, Issue 2, 2022 · pp. 26–30 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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Docking Studies on Some Benzimidazole and Triazole Analogues as Antihypertensive Agents
Abstract: The incidence rate of hypertension continues a phenomenal rise and so, there is a growing need to identify novel therapeutic agents with improved efficacy and reduced side effects. In these circumstances, drugs acting on multiple targets could offer superior efficacy profiles compared with single target drugs. Some molecules have been designed using rational drug design approach and evaluated by performing docking studies. Targets used were an angiotensin-converting enzyme, angiotensin receptor, …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 5, Issue 2, 2018 · pp. 37–39 Read article
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Study of Anti-Leishmanial Activities of Metabolites on Leishmania major: A Structure-Based Drug Designing Approach
Abstract: Cutaneous Leishmaniasis is one of the major problem all over the world and has no suitable treatment to treat this disease. However, the range of drugs is limited and increased use of these drugs lead to multiple drug resistance and has posed a major concern. Here the genome sequences of Leishmania major (responsible for cutaneous Leishmaniasis) is identified for having few drug targets that are unique to these parasites. GPI …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 4, Issue 3, 2017 · pp. 30–40 Read article
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Exploring The Therapeutical Potential Of Pongamia Pinnata For Herpes Simplex Virus Type 1 (HSV-1)
Abstract: Objective: Pongamia pinnata (L.), commonly known as Indian beech or pongam tree, is a tropical plant renowned for its medicinal properties in traditional medicine systems. Extracts derived from various parts of Pongamia pinnata have demonstrated antimicrobial, anti-inflammatory, and immunomodulatory activities. Such attributes make it a compelling candidate for exploring its therapeutic potential against HSV infections. Thymidine kinase is the target protein mostly used in the treatment of HSV1 infections. In …
Published in Research and Reviews: A Journal of Microbiology and Virology · Vol. 15, Issue 1, 2025 · pp. 1–9 Read article
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The Parasitic Fingerprint: Tracing Infection to Host Illness
Abstract: Parasitic infections remain a major global health burden, causing significant morbidity and mortality, particularly in tropical and subtropical regions. A critical aspect of disease pathogenesis is the unique molecular and cellular imprint left by parasites in their hosts, termed the “parasitic fingerprint.” These fingerprints encompass parasite-derived proteins, nucleic acids, metabolites, extracellular vesicles, and host responses, including gene expression changes, cytokine profiles, and metabolic adaptations. Advances in multi-omics technologies, which integrate …
Published in Recent Trends in Infectious Diseases · Vol. 3, Issue 1, 2026 · pp. 29–50 Read article
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PROJECT PLANNING AND CONSTRUCTION USING ROBOTICS AND AUGMENTED REALITY
Abstract: The construction industry is based on human resources, specifically for on-site construction processes. The conventional construction practices require an absolute amount of workforce and skilled labour to achieve the aimed efficiency in terms of construction duration and cost, and building quality. Besides, lack of workforce and sufficiently skilled labour can affect the overall duration, cost, and quality targets. Therefore, based on these issues, advanced robotic technologies have been developed to …
Published in Journal of Mechatronics and Automation · Vol. 10, Issue 1, 2023 · pp. 1–6 Read article
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An Immuno-informatics Approach for the Design of Subunit Vaccine for Non-human Homolog Proteins of A.aegypti Species
Abstract: Mosquito borne diseases account for a major fraction of vector-borne diseases that account for significant morbidity amongst the population worldwide. The prevalence rate of mosquitoes in the common habitable area is so high that even after the implementation of several eradication programs their disease-causing rate is still quite significant. A.aegypti and A.albopictus are two prominent species of genus Aedes, which transmit viruses causing several infectious diseases such as dengue, zika …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 9, Issue 3, 2022 · pp. 1–8 Read article
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In-silico screening of phytochemicals for identification of an 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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Drug Discovery and Design: Focus on computational approaches used in the discovery and design of new drugs
Abstract: Computational approaches have revolutionized the field of drug discovery and design, offering efficient and cost-effective strategies for identifying and developing new therapeutics. This review article explores the application of computational methods in drug discovery, with a focus on virtual screening techniques, molecular docking, molecular dynamics simulations, and quantitative structure-activity relationship (QSAR) models. Virtual screening plays a crucial role in narrowing down large chemical libraries by utilizing ligand-based and structure-based approaches. …
Published in Research and Reviews : Journal of Computational Biology · Vol. 12, Issue 1, 2023 · pp. 26–30 Read article