Search Results - "molecular dynamics"

Synthesis, computational studies, tyrosinase inhibitory kinetics and antimelanogenic activity of hydroxy substituted 2-[(4-acetylphenyl)amino]-2-oxoethyl derivatives by Muhammad Rafiq, Yasir Nazir, Zaman Ashraf, Hummera Rafique, Samina Afzal, Amara Mumtaz, Mubashir Hassan, Anser Ali, Khurram Afzal, Muhammad Rizwan Yousuf, Muhammad Saleem, Katarzyna Kotwica-Mojzych, Mariusz Mojzych

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Chemopreventive potential of Saurauia vulcani korth in improving Rhodamine B induced hepato-renal carcinoma in Rats by Erlintan Sinaga, Uswatun Hasanah, Feimmy Ruth Pratiwi Sipahutar

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Discovery of Pyrano[2,3-<i>c</i>]pyrazole Derivatives as Novel Potential Human Coronavirus Inhibitors: Design, Synthesis, In Silico, In Vitro, and ADME Studies by Abdou K. Allayeh, Aliaa H. El-boghdady, Mohamed A. Said, Mahmoud G. A. Saleh, Mohammed T. Abdel-Aal, Mohamed G. Abouelenein

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Phenylpyrazolone-1,2,3-triazole Hybrids as Potent Antiviral Agents with Promising SARS-CoV-2 Main Protease Inhibition Potential by Arafa Musa, Hamada S. Abulkhair, Ateyatallah Aljuhani, Nadjet Rezki, Mohamed A. Abdelgawad, Khaled Shalaby, Ahmed H. El-Ghorab, Mohamed R. Aouad

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ARumenamides: A novel class of potential antiarrhythmic compounds by Mena Abdelsayed, Mena Abdelsayed, Mena Abdelsayed, Dana Page, Peter C. Ruben

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Herb-symptom analysis of Erchen decoction combined with Xiebai powder formula and its mechanism in the treatment of chronic obstructive pulmonary disease by Hua Ye, Beibei He, Yujie Zhang, Ziwei Yu, Yifan Feng, Chuanbiao Wen, Chongcheng Xi, Quansheng Feng

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Light Alloys and High-Temperature Alloys

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Galactoside-Based Molecule Enhanced Antimicrobial Activity through Acyl Moiety Incorporation: Synthesis and In Silico Exploration for Therapeutic Target by Faez Ahmmed, Samiah Hamad Al-Mijalli, Emad M. Abdallah, Ibrahim H. Eissa, Ferdausi Ali, Ajmal R. Bhat, Joazaizulfazli Jamalis, Taibi Ben Hadda, Sarkar M. A. Kawsar

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Chemical Profiling, Antioxidant, and Antimicrobial Activity of Saudi Propolis Collected by Arabian Honey Bee (<i>Apis mellifera jemenitica</i>) Colonies by Wed Mohammed Ali ALaerjani, Khalid Ali Khan, Badria M. Al-Shehri, Hamed A. Ghramh, Ajaz Hussain, Mohammed Elimam Ahamed Mohammed, Muhammad Imran, Irfan Ahmad, Saboor Ahmad, Abdulrhman S. Al-Awadi

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Scaffold Repurposing Reveals New Nanomolar Phosphodiesterase Type 5 (PDE5) Inhibitors Based on Pyridopyrazinone Scaffold: Investigation of In Vitro and In Silico Properties by Kamelia M. Amin, Ossama M. El-Badry, Doaa E. Abdel Rahman, Magda H. Abdellattif, Mohammed A. S. Abourehab, Mahmoud H. El-Maghrabey, Fahmy G. Elsaid, Mohamed A. El Hamd, Ahmed Elkamhawy, Usama M. Ammar

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Flurbiprofen&ndash;antioxidant mutual prodrugs as safer nonsteroidal anti-inflammatory drugs: synthesis, pharmacological investigation, and computational molecular modeling by Ashraf Z, Alamgeer, Kanwal M, Hassan M, Abdullah S, Waheed M, Ahsan H, Kim SJ

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Family Malvaceae: a potential source of secondary metabolites with chemopreventive and anticancer activities supported with in silico pharmacokinetic and pharmacodynamic profiles by Salma Sameh, Ahmed M. Elissawy, Ahmed M. Elissawy, Eman Al-Sayed, Rola M. Labib, Hsueh-Wei Chang, Szu-Yin Yu, Fang-Rong Chang, Shyh-Chyun Yang, Shyh-Chyun Yang, Shyh-Chyun Yang, Abdel Nasser B. Singab, Abdel Nasser B. Singab

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Fingolimod and Diabetic Retinopathy: A Drug Repurposing Study by Carlo Gesualdo, Cornel Balta, Chiara Bianca Maria Platania, Maria Consiglia Trotta, Hildegard Herman, Sami Gharbia, Marcel Rosu, Francesco Petrillo, Salvatore Giunta, Alberto Della Corte, Paolo Grieco, Rosa Bellavita, Francesca Simonelli, Michele D'Amico, Anca Hermenean, Anca Hermenean, Settimio Rossi, Claudio Bucolo

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A Composite System Based upon Hydroxypropyl Cyclodextrins and Soft Hydrogel Contact Lenses for the Delivery of Therapeutic Doses of Econazole to the Cornea, In Vitro by Anepmete Wong, Melissa Fallon, Vildan Celiksoy, Salvatore Ferla, Carmine Varricchio, David Whitaker, Andrew J. Quantock, Charles M. Heard

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Screening of immunopeptides from Zhiciweipi (Corium Erinacei Praeparaum) and their immunity to RAW264.7 macrophages by Zhikai Xiahou, Zexin Zhang, Wenfeng Wu, Jun Han

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Increased efficacy of biologics following inhibition of autophagy in A549 lung cancer cells in bimodal treatment of doxorubicin and SAR405-loaded chitosan nanoparticles by Mohammed Numan Alamassi, Suet Lin Chia, Che Azurahanim Che Abdullah, Mas Jaffri Masarudin

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In Silico Development of Novel Benzofuran-1,3,4-Oxadiazoles as Lead Inhibitors of <i>M. tuberculosis</i> Polyketide Synthase 13 by Ali Irfan, Shah Faisal, Ameer Fawad Zahoor, Razia Noreen, Sami A. Al-Hussain, Burak Tuzun, Rakshanda Javaid, Ahmed A. Elhenawy, Magdi E. A. Zaki, Sajjad Ahmad, Magda H. Abdellattif

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Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA app... by Ravindra L. Bakal, Rahul D. Jawarkar, J.V. Manwar, Minal S. Jaiswal, Arabinda Ghosh, Ajaykumar Gandhi, Magdi E.A. Zaki, Sami Al-Hussain, Abdul Samad, Vijay H. Masand, Nobendu Mukerjee, Syed Nasir Abbas Bukhari, Praveen Sharma, Israa Lewaa

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Preliminary Investigation of <i>Astragalus arpilobus</i> subsp. <i>hauarensis</i>: LC-MS/MS Chemical Profiling, In Vitro Evaluation of Antioxidant, Anti-Inflammatory Properties, Cy... by Sabrina Lekmine, Ouided Benslama, Kenza Kadi, Abir Brik, Ouidad Djeffali, Manar Ounissi, Meriem Slimani, Mohammad Shamsul Ola, Omayma A. Eldahshan, Antonio Ignacio Martín-García, Ahmad Ali

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From desert flora to cancer therapy: systematic exploration of multi-pathway mechanisms using network pharmacology and molecular modeling approaches by Adel Alblihy, Adel Alblihy

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