Recent advance in treatment of osteoarthritis by bioactive components from herbal medicine
Chinese Medicine, 2020 Osteoarthritis (OA) is a common chronic articular degenerative disease, and characterized by articular cartilage degradation, synovial inflammation/immunity, and subchondral bone lesion, etc.
Xu-zhao Li, Shuai-nan Zhang
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QSAR studies on Withanolide analogs for anticancer activity [PDF]
, 2011 Withanolides are a group of pharmacologically active compounds present in most prodigal amounts in roots and leaves of Withania somnifera (Indian ginseng), one of the most important medicinal plants of Indian systems of medicine.
Dharmendra Kumar Yadav +2 more
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Hayati Journal of Biosciences, 2023 The outbreak of the COVID-19 pandemic in the world has urged researchers to develop a vaccine or therapeutic drugs to fight this virus. This study aimed to assay 14 deoxy-11,12-didehydroandrographolide (AGP 2) ability as an inhibitor of 3-chymotrypsin ...
Muhammad Vicky Astria +5 more
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Identification of Potent Leads for Human cAMP Dependent Protein Kinase Catalytic Subunit Alpha: A Strategic Application of Virtual Screening for Cancer Therapeutics [PDF]
, 2010 The advancement in therapeutic applications focused on specific macromolecular compounds of deregulated cell signaling pathways bestowed novel approach to design the ligands as drug molecules against several life threatening diseases such as Cancer.
Amineni Umamaheswari +2 more
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Mol-CycleGAN - a generative model for molecular optimization [PDF]
, 2019 Designing a molecule with desired properties is one of the biggest challenges in drug development, as it requires optimization of chemical compound structures with respect to many complex properties.
A Gupta +9 more
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Xanthones, A Promising Anti-Inflammatory Scaffold: Structure, Activity, and Drug Likeness Analysis
Molecules, 2020 Inflammation is the body’s self-protective response to multiple stimulus, from external harmful substances to internal danger signals released after trauma or cell dysfunction.
Zheling Feng +4 more
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Utjecaj supstituenata na NMR značajke temeljnog bicikličkog prstenastog sustava fluorokinolonskih antibiotika, odnos između NMR kemijskih pomaka, molekulskih opisivača i parametara sličnosti s lijekovima [PDF]
, 2010 In the present study, the NMR spectroscopic features of trovafloxacin (TVA) mesylate, pefloxacin (PFX) mesylate dihydrate and ciprofloxacin (CIP) hydrochloride monohydrate were studied in DMSO-d6 solution with the aim of investigating the effects of ...
MILENA JADRIJEVIĆ-MLADAR TAKAČ
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A New Hydrazide-Hydrazone Based Schiff Base: Synthesis, DFT Calculations, in Silico Pharmacokinetics and Toxicity, Inhibitory Activity Against Tau Aggregation and SARS-CoV-2 Mpro [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2023 We report here a new imine compound (Schiff base) with a hydrazide-hydrazone moiety, N'-(5-nitro-2-(piperidin-1-yl)benzylidene)benzohydrazide. The present work deals with synthesis, spectral and structural characterization, in silico drug-likeness ...
Songül Şahin, Necmi Dege
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Prediction of Drug-Likeness Using Deep Autoencoder Neural Networks
Frontiers in Genetics, 2018 Due to diverse reasons, most drug candidates cannot eventually become marketed drugs. Developing reliable computational methods for prediction of drug-likeness of candidate compounds is of vital importance to improve the success rate of drug discovery ...
Qiwan Hu +4 more
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Cumhuriyet Science Journal, 2022 Cancer is a real public health problem that figures among the main causes of morbidity and mortality in the world. The Colchicine Binding Site (CBS) is an important pocket for potential tubulin polymerization destabilizers.
Soumıa Tenıou +5 more
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