Search Results - "Alnajjar, Radwan"

Molecular docking, molecular dynamics, and in vitro studies reveal the potential of angiotensin II receptor blockers to inhibit the COVID-19 main protease by Alnajjar, Radwan, Mostafa, Ahmed, Kandeil, Ahmed, Al-Karmalawy, Ahmed A.

“…Drug repurposing is the most rapid and economic way nowadays to rapidly provide effective drugs for our pandemic coronavirus disease 2019 (COVID-19). It was a…”
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Competition between [2 + 1]- and [4 + 1]-cycloaddition mechanisms in reactions of conjugated nitroalkenes with dichlorocarbene in the light of a DFT computational study by Alnajjar, Radwan A., Jasiński, Radomir

“…The competition between [2 + 1] and [4 + 1] channels regarding reactions of conjugated nitroalkenes with dichlorocarbene was explored based on B3LYP/6-31G(d)…”
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In silico mutational analysis of ACE2 to check the susceptibility of lung cancer patients towards COVID-19 by Khalid, Zumama, Khan, Abeedha Tu-Allah, Alnajjar, Radwan, Santali, Eman, Shakoori, Abdul Rauf

“…Being the second major cause of death worldwide, lung cancer poses a significant threat to the health of patients. This worsened during the era of pandemic…”
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The non-ideality in binary aqueous systems contributed to the different abilities of solvent entities incorporated in the solvation shell of methylene blue by Hemdan, Sokaina, Alnajjar, Radwan

“…The solvatochromic properties of methylene blue (MB) were investigated in neat water, methanol, ethanol, propanol, dioxane and their corresponding aqueous…”
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Molecular docking and dynamics simulations reveal the potential of anti-HCV drugs to inhibit COVID-19 main protease by Al-Karmalawy, Ahmed Ali, Alnajjar, Radwan, Dahab, Mohammed, Metwaly, Ahmed, Eissa, Ibrahim

“…Background: Drug repurposing is the fastest effective method to provide treatment for coronavirus disease (COVID-19). Drugs that targeting a closely related…”
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Computational 3D Modeling-Based Identification of Inhibitors Targeting Cysteine Covalent Bond Catalysts for JAK3 and CYP3A4 Enzymes in the Treatment of Rheumatoid Arthritis by Faris, Abdelmoujoud, Alnajjar, Radwan, Guo, Jingjing, Al Mughram, Mohammed H, Aouidate, Adnane, Asmari, Mufarreh, Elhallaoui, Menana

“…This work aimed to find new inhibitors of the CYP3A4 and JAK3 enzymes, which are significant players in autoimmune diseases such as rheumatoid arthritis…”
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Anticoagulants as Potential SARS-CoV-2 Mpro Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR Studies by Abo Elmaaty, Ayman, Eldehna, Wagdy, Khattab, Muhammad, Kutkat, Omnia, Alnajjar, Radwan, El-Taweel, Ahmed, Al-Rashood, Sara, Abourehab, Mohammed, Binjubair, Faizah, Saleh, Mohamed, Belal, Amany, Al-Karmalawy, Ahmed

“…In this article, 34 anticoagulant drugs were screened in silico against the main protease (Mpro) of SARS-CoV-2 using molecular docking tools. Idraparinux,…”
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Investigating the potential anticancer activities of antibiotics as topoisomerase II inhibitors and DNA intercalators: in vitro, molecular docking, molecular dynamics, and SAR studies by Farouk, Faten, Elmaaty, Ayman Abo, Elkamhawy, Ahmed, Tawfik, Haytham O., Alnajjar, Radwan, Abourehab, Mohammed A. S., Saleh, Mohamed A., Eldehna, Wagdy M., Al-Karmalawy, Ahmed A.

“…Topoisomerase II (TOP-2) is a promising molecular target for cancer therapy. Numerous antibiotics could interact with biologically relevant macromolecules and…”
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Development of novel CDK9 and CYP3A4 inhibitors for cancer therapy through field and computational approaches by Alsfouk, Aisha A., Faris, Abdelmoujoud, Cacciatore, Ivana, Alnajjar, Radwan

“…Cyclin-dependent kinase 9 (CDK9) and cytochrome P450 3A4 (CYP3A4) have emerged as promising targets in the development of anticancer drugs, presenting a…”
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Multitarget Potential of Phytochemicals from Traditional Medicinal Tree, Terminalia arjuna (Roxb. ex DC.) Wight & Arnot as Potential Medicaments for Cardiovascular Disease: An In-Silico Approach by Kumar, Vikas, Sharma, Nitin, Orfali, Raha, Patel, Chirag N, Alnajjar, Radwan, Saini, Rakshandha, Sourirajan, Anuradha, Khosla, Prem Kumar, Dev, Kamal, Perveen, Shagufta

“…Cardiovascular diseases (CVDs) are the leading cause of mortality worldwide. (Roxb. ex DC.) Wight & Arnot of the Combretaceae family is one of the most…”
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Study of the Ribavirin drug adsorption on the surfaces of carbon nanotube and graphene nanosheet using density functional theory calculations by Sheikhi, Masoome, Shahab, Siyamak, Balali, Ebrahim, Alnajjar, Radwan, Kaviani, Sadegh, Khancheuski, Maksim, Al Saud, Sultan

“…Density functional theory (DFT) and time‐dependent density functional theory (TD‐DFT) calculations were performed in the solvent water for the study of the…”
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Theoretical investigation of adsorption effects Ciclopirox drug over CNT(6,6-6) nanotube as factor of drug delivery: a DFT study by Shahab, Siyamak, Sheikhi, Masoome, Alnajjar, Radwan, Kawafi, Nagwa S. M., Kaviani, Sadegh, Strogova, Aleksandra

“…The main purpose of this study is a better comprehension of the non-bonded interaction between an anticancer drug Ciclopirox and carbon nanotube [CNT(6,6-6)]…”
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Computational insights into rational design and virtual screening of pyrazolopyrimidine derivatives targeting Janus kinase 3 (JAK3) by Faris, Abdelmoujoud, Cacciatore, Ivana, Alnajjar, Radwan, Aouidate, Adnane, Al Mughram, Mohammed H, Elhallaoui, Menana

“…The Janus kinase 3 (JAK3) family, particularly JAK3, is pivotal in initiating autoimmune diseases such as rheumatoid arthritis. Recent advancements have…”
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Development of new TAK-285 derivatives as potent EGFR/HER2 inhibitors possessing antiproliferative effects against 22RV1 and PC3 prostate carcinoma cell lines by Son, Seohyun, Elkamhawy, Ahmed, Gul, Anam Rana, Al-Karmalawy, Ahmed A., Alnajjar, Radwan, Abdeen, Ahmed, Ibrahim, Samah F., Alshammari, Saud O., Alshammari, Qamar A., Choi, Won Jun, Park, Tae Jung, Lee, Kyeong

“…Epidermal growth factor receptor (EGFR) and human epidermal growth factor receptor 2 (HER2) protein tyrosine kinases co-expressed in various cancers such as…”
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Design and statistical optimisation of emulsomal nanoparticles for improved anti-SARS-CoV-2 activity of N-(5-nitrothiazol-2-yl)-carboxamido candidates: in vitro and in silico studies by Al-Karmalawy, Ahmed A., El-Gamil, Dalia S., El-Shesheny, Rabeh, Sharaky, Marwa, Alnajjar, Radwan, Kutkat, Omnia, Moatasim, Yassmin, Elagawany, Mohamed, Al-Rashood, Sara T., Binjubair, Faizah A., Eldehna, Wagdy M., Noreddin, Ayman M., Zakaria, Mohamed Y.

“…In this article, emulsomes (EMLs) were fabricated to encapsulate the N-(5-nitrothiazol-2-yl)-carboxamido derivatives (3a-3g) in an attempt to improve their…”
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Identification of Ureidocoumarin-Based Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors via Drug Repurposing Approach, Biological Evaluation, and In Silico Studies by El-Damasy, Ashraf K, Kim, Hyun Ji, Al-Karmalawy, Ahmed A, Alnajjar, Radwan, Khalifa, Mohamed M, Bang, Eun-Kyoung, Keum, Gyochang

“…Discoidin domain receptor 1 (DDR1) kinase has emerged as a promising target for cancer therapy, and selective DDR1 inhibitors have shown promise as effective…”
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Design, Synthesis, Biological Evaluation, and Molecular Dynamics Studies of Novel Lapatinib Derivatives by Elkamhawy, Ahmed, Son, Seohyun, Lee, Hwa Young, El-Maghrabey, Mahmoud H, Hamd, Mohamed A El, Alshammari, Saud O, Abdelhameed, Abeer A, Alshammari, Qamar A, Abdeen, Ahmed, Ibrahim, Samah F, Mahdi, Wael A, Alshehri, Sultan, Alnajjar, Radwan, Choi, Won Jun, Al-Karmalawy, Ahmed A, Lee, Kyeong

“…Co-expression of the epidermal growth factor receptor (EGFR, also known as ErbB1) and human epidermal growth factor receptor 2 (HER2) has been identified as a…”
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Revealing innovative JAK1 and JAK3 inhibitors: a comprehensive study utilizing QSAR, 3D-Pharmacophore screening, molecular docking, molecular dynamics, and MM/GBSA analyses by Faris, Abdelmoujoud, Cacciatore, Ivana, Alnajjar, Radwan, Hanine, Hadni, Aouidate, Adnane, Mothana, Ramzi A, Alanzi, Abdullah R, Elhallaoui, Menana

“…The heterocycle compounds, with their diverse functionalities, are particularly effective in inhibiting Janus kinases (JAKs). Therefore, it is crucial to…”
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Anticholinesterase Activity of Budmunchiamine Alkaloids Revealed by Comparative Chemical Profiling of Two Albizia spp., Molecular Docking and Dynamic Studies by Hussein, Mai E, Mohamed, Osama G, El-Fishawy, Ahlam M, El-Askary, Hesham I, Hamed, Ahmed A, Abdel-Aziz, Marwa M, Alnajjar, Radwan, Belal, Amany, Naglah, Ahmed M, Almehizia, Abdulrahman A, Al-Karmalawy, Ahmed A, Tripathi, Ashootosh, El Senousy, Amira S

“…Alzheimer's disease remains a global health challenge and an unmet need requiring innovative approaches to discover new drugs. The current study aimed to…”
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Detection of Coronaviruses in Bats in Lebanon during 2020 by Kandeil, Ahmed, Abi-Said, Mounir, Badra, Rebecca, El-Shesheny, Rabeh, Al-Karmalawy, Ahmed A, Alnajjar, Radwan, Khalid, Zumama, Kamel, Mina Nabil, Abi Habib, Walid, Abdallah, Jad, Dhanasekaran, Vijaykrishna, Webby, Richard, Kayali, Ghazi

“…Bats are considered the main reservoir of coronaviruses (CoVs), and research evidence suggests the essential role of bats in the emergence of Severe Acute…”
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