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168 articles for “protein-protein docking”
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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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Exploring Phytochemicals of Ficus religiosa against Corona Virus Protein using Molecular Modeling Techniques
Abstract: The current worst pandemic situation is brought about by novel Severe acute respiratory syndrome coronavirus 2 causing Covid-19 disease. The world fights against it with vaccines, self-sanitation techniques and drugs like ribavirin, beta-interferon and remdesivir which has not solved the problem to the desired extent. With technical and scientific developments in molecular biology field, though the genome and proteome of the organism is explored, potent drugs against it is still …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 8, Issue 2, 2023 · pp. 18–26 Read article
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Stingless Honeybee’s Rare Sugar and PCSK 9 - LDLR Interaction, A New Hope for Hormone Dependent Breast Cancer Patients – An In-silico Study
Abstract: Hypercholesterolemia is a lipid disorder characterized by elevated levels of low-density lipoprotein (LDL), commonly known as "bad" cholesterol. This condition is a significant risk factor in the development and progression of hormone-dependent breast cancer, as well as in the emergence of resistance to hormonal therapy. One of the key regulators of cholesterol metabolism is the proprotein convertase subtilisin/kexin type-9 (PCSK9) protein, which facilitates the degradation of the LDL receptor (LDLR) …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 1–6 Read article
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In silico analysis of Abrus precatorius L. as a potential agonist of PPARγ : A novel approach to the treatment of diabetes
Abstract: Diabetes mellitus is a chronic disorder that is characterized by a lack of insulin secretion by the pancreas or a defect in insulin action, or both. If diabetes is not controlled, over time it can cause damage to blood vessels and nerves, leading to life-threatening complications such as, kidney damage, heart disease and vision impairment. It can also weaken the immune system, making patients more prone to infection. Although treatments …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 2, 2025 · pp. 13–24 Read article
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A Comparative in silico Study of the Glucose Transporters Predicts Ubiquitination of the Transporters at the C-Terminal End
Abstract: Glucose Transporters are a family of membrane spanning proteins that transports glucose from exterior of the cell to the interior of the cell through the plasma membrane. There are 14 glucose transporters known till now. Although the transporters belong to the same family but not all function in glucose transport. They are different from each other in primary amino acid sequence. However, there is similarity in the secondary as well …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 5, Issue 2, 2018 · pp. 15–24 Read article
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In silico Screening of Some Natural Sesquiterpenes Against Diverse Therapeutic Targets: A Multitargeted Approach
Abstract: The present research was rational in-silico based exploration of other significantly essential pharmacological potentials of the existing natural sesquiterpenes by using the Schrodinger software which is already known to scientific community owing to their anticancer and antibacterial potentials. The sesquiterpenes have been explored for possible therapeutic excellence by screening against Lipoxygenase-5 (anti-inflammatory), Cycloxygenase-2 (anti-inflammatory), Dipeptidyl peptidase (antidiabetic), Cyclin-Dependent Kinase-5 (anticancer), Angiotensin-1 Converting Enzyme (antihypertensive), and Protein kinase C (anticancer). The …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 6, Issue 2, 2019 · pp. 10–15 Read article
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In silico Prediction of Two New Conformations of Aβ42 Peptide and Possible Mechanism of Their Aggregation
Abstract: Alzheimer’s disease is one of the most studied neurodegenerative diseases. The cause for most cases of this disease is unknown. However, there are many hypotheses regarding the progression of this disease. One of the hypotheses is the amyloid hypothesis. Amyloid precursor protein present on chromosome 21 is cleaved by β and γ sectretases. The cleaved fragments of this protein, nearly 36–43 residues long aggregates and are deposited as plaque in …
Published in Research and Reviews : Journal of Computational Biology · Vol. 8, Issue 1, 2019 · pp. 1–7 Read article
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Modulation of Receptor Proteins: A Recent Paradigm in Drug Discovery and Target
Abstract: The main aim in drug discovery is to design different ligands those work on specific drug targets. However, various effective drugs work through the modulation of many proteins than single target. Advancement in system biology are establishing a phenotypic strength and a network structure, which suggests that, the excellent selective compounds may be performed less than desired clinical efficacy in comparison to multi-target drugs. In this new appreciation of the …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 5, Issue 1, 2018 · pp. 14–24 Read article