Search Results - "Combinatorial chemistry & high throughput screening"

Anticancer Properties of Traditional Chinese Medicine by Yan, Zhaokun, Lai, Zijun, Lin, Jiumao

“…Cancer is a systemic disease. Cancer occurrence is associated with several factors, including cell proliferation, apoptosis, metastasis, tumor microenvironment…”
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Recent advances on potentiometric membrane sensors for pharmaceutical analysis by Gupta, Vinod K, Arunima, Nayak, Singhal, Barkha, Agarwal, Shilpi

“…Prime concerns with modern developments are attributed to high level undetected but important biological substances or even toxicants cycled often among…”
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Optimal Homotopic Exploration of Features of Cattaneo-Christov Model in Second Grade Nanofluid Flow via Darcy-Forchheimer Medium Subject to Viscous Dissipation and Thermal Radiation by Rasool, Ghulam, Shafiq, Anum, Chu, Yu-Ming, Bhutta, Muhammad Shoaib, Ali, Amjad

“…In this article, Optimal Homotopy Analysis Method (oHAM) is used for the exploration of the features of the Cattaneo-Christov model in viscous and chemically…”
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Discovery of Potent SARS-CoV-2 Inhibitors from Approved Antiviral Drugs via Docking and Virtual Screening by Chtita, Samir, Belhassan, Assia, Aouidate, Adnane, Belaidi, Salah, Bouachrine, Mohammed, Lakhlifi, Tahar

“…Coronavirus Disease 2019 (COVID-19) pandemic continues to threaten patients, societies and healthcare systems around the world. There is an urgent need to…”
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The Anti-hyperuricemia and Anti-inflammatory Effects of Atractylodes Macrocephala in Hyperuricemia and Gouty Arthritis Rat Models by Qian, Xvwu, Jiang, Ying, Luo, Yiyuan, Jiang, Yuchen

“…Atractylodes macrocephala is a traditional Chinese medicine with a variety of pharmacological activities. This study aimed to evaluate its anti-hyperuricemia…”
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The Screening of Phytochemicals Against NS5 Polymerase to Treat Zika Virus Infection: Integrated Computational Based Approach by Rehman, Abdur, Ashfaq, Usman Ali, Javed, Muhammad Rizwan, Shahid, Farah, Noor, Fatima, Aslam, Sidra

“…The recent Zika Virus (ZIKV) outbreak provides a spur for new, efficient, and safe anti-Zika Virus agents. RNA-dependent RNA polymerase (RdRp) is critical…”
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SAnDReS a Computational Tool for Statistical Analysis of Docking Results and Development of Scoring Functions by Xavier, Mariana Morrone, Heck, Gabriela Sehnem, Avila, Mauricio Boff de, Levin, Nayara Maria Bernhardt, Pintro, Val Oliveira, Carvalho, Nathalia Lemes, Azevedo, Walter Filgueira de

“…Docking allows to predict ligand binding to proteins, since the 3D-structure for the target is available. Several docking studies have been carried out to…”
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Investigating the Impact of Different Acrylamide (Electrophilic Warhead) on Osimertinib's Pharmacological Spectrum by Molecular Mechanic and Quantum Mechanic Approach by Patel, Harun, Ahmad, Iqrar, Jadhav, Harsha, Pawara, Rahul, Lokwani, Deepak, Surana, Sanjay

“…Lung cancer has become the prominent cause of the cancer-related deaths globally. More than 80 % of all lung cancers have been diagnosed with Non- Small Cell…”
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Molecular Mechanisms of Thymoquinone as Anticancer Agent by Alhmied, Fatma, Alammar, Ali, Alsultan, Bayan, Alshehri, Muruj, Pottoo, Faheem Hyder

“…Thymoquinone (TQ), the bioactive constituent of Nigella Sativa seeds, is a well-known natural compound for the management of several types of cancers. The…”
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On various metrics used for validation of predictive QSAR models with applications in virtual screening and focused library design by Roy, Kunal, Mitra, Indrani

“…Quantitative structure-activity relationships (QSARs) have important applications in drug discovery research, environmental fate modeling, property prediction,…”
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Design and Fabrication of a Magnetite-based Polymer-supported Hybrid Nanocomposite: A Promising Heterogeneous Catalytic System Utilized in Known Palladium-assisted Coupling Reactions by Maleki, Ali, Taheri-Ledari, Reza, Ghalavand, Reza

“…Herein, a novel heterogeneous catalytic system constructed of iron oxide and palladium nanoparticles is presented. Firstly, a convenient synthetic pathway for…”
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L-Proline: A Versatile Organo-Catalyst in Organic Chemistry by Thorat, Bapu R, Mali, Suraj N, Wavhal, Swati S, Bhagat, Devidas S, Borade, Ravikumar M, Chapolikar, A, Gandhi, Ajaykumar, Shinde, Pawan

“…L-proline is a natural amino acid having secondary amine functionality and acts as a bifunctional catalyst (organo-catalyst). The amino-functional group acts…”
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Herbal Medicine: Clinical Perspective and Regulatory Status by Barkat, Md Abul, Goyal, Anjali, Barkat, Harshita A, Salauddin, Mohammad, Pottoo, Faheem H, Anwer, Esra T

“…Herbal medicines play an important role in treating various ailments due to their potentially high therapeutic values and acceptability by patients with…”
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Butyrate Inhibits Gastric Cancer Cells by Inducing Mitochondriamediated Apoptosis by Zhang, Ke, Ji, Xiawei, Song, Zhengyang, Wu, Fangquan, Qu, Yue, Jin, Xiaofeng, Xue, Xiangyang, Wang, Fangyan, Huang, Yingpeng

“…Gastric cancer (GC) remains a common cause of cancer death in East Asia. Current treatment strategies for GC, including medical and surgical interventions, are…”
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Comprehensive Characterization of RNA-Binding Proteins in Colon Adenocarcinoma Identifies a Novel Prognostic Signature for Predicting Clinical Outcomes and Immunotherapy Responses Based on Machine Learning by Miao, Ye, Yuan, Qihang, Wang, Chao, Feng, Xiaoshi, Ren, Jie, Wang, Changmiao

“…RNA-binding proteins (RBPs) are crucial factors that function in the posttranscriptional modification process and are significant in cancer. This research…”
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Patterns of Gene Expression Profiles Associated with Colorectal Cancer in Colorectal Mucosa by Using Machine Learning Methods by Ren, Jing Xin, Chen, Lei, Guo, Wei, Feng, Kai Yan, Cai, Yu-Dong, Huang, Tao

“…Colorectal cancer (CRC) has a very high incidence and lethality rate and is one of the most dangerous cancer types. Timely diagnosis can effectively reduce the…”
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An In-Silico Investigation of Phytochemicals as Antiviral Agents Against Dengue Fever by Powers, Chelsea N, Setzer, William N

“…A virtual screening analysis of our library of phytochemical structures with dengue virus protein targets has been carried out using a molecular docking…”
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Highly Efficient Reusable Carboxy Group Functionalized Imidazolium Salts for a Simple and Cost-effective Preparation of pyrano[2,3-d]pyrimidinone Derivatives by Ezzatzadeh, Elham, Sheikholeslami-Farahani, Fatemeh, Yadollahzadeh, Khadijeh, Rezayati, Sobhan

“…In the current study, environmentally benign and cost-effective procedures were suggested for the preparation of carboxy group functionalized imidazolium…”
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TIGIT as a Novel Prognostic Marker for Immune Infiltration in Invasive Breast Cancer by Guo, Chenming, Luo, Zhiwen, Ismtula, Dilimulati, Bi, Xiaojuan, Kong, Han, Wang, Yiyang, Yang, Zhen, Mao, Xinmin

“…To assess the levels and potential therapeutic and prognostic significance of TIGIT in invasive breast cancer. The Cancer Genome Atlas database was used to…”
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Design and Diversity Analysis of Chemical Libraries in Drug Discovery by Olmedo, Dionisio A, Durant-Archibold, Armando A, López-Pérez, José Luis, Medina-Franco, José Luis

“…Chemical libraries and compound data sets are among the main inputs to start the drug discovery process at universities, research institutes, and the…”
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