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ArticlesPeer ReviewedFull Text
In silico mutational analysis of ACE2 to check the susceptibility of lung cancer patients towards COVID-19
Author / Creator:Khalid, Zumama ; Khan, Abeedha Tu-Allah ; Alnajjar, Radwan ; Santali, Eman ; Shakoori, Abdul Rauf
Publisher:London: Nature Publishing Group UK
Journal title:Scientific reports, 2022-05, Vol.12 (1), p.7798-7798, Article 7798
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Molecular docking and dynamics simulations reveal the potential of anti-HCV drugs to inhibit COVID-19 main protease
Author / Creator:Al-Karmalawy, Ahmed Ali ; Alnajjar, Radwan ; Dahab, Mohammed ; Metwaly, Ahmed ; Eissa, Ibrahim
Journal title:Pharmaceutical Sciences, 2021-11
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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
Author / Creator:Faris, Abdelmoujoud ; Alnajjar, Radwan ; Guo, Jingjing ; Al Mughram, Mohammed H ; Aouidate, Adnane ; Asmari, Mufarreh ; Elhallaoui, Menana
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2023-12, Vol.29 (1), p.23
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An in-depth study of indolone derivatives as potential lung cancer treatment
Author / Creator:Er-rajy, Mohammed ; El fadili, Mohamed ; Alnajjar, Radwan ; Zarougui, Sara ; Mujwar, Somdutt ; Azzaoui, Khalil ; Abuelizz, Hatem A. ; Hammouti, Belkheir ; Elhallaoui, Menana
Publisher:London: Nature Publishing Group UK
Journal title:Scientific reports, 2025-01, Vol.15 (1), p.2199-12, Article 2199
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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
Author / Creator: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.
Publisher:England: Taylor & Francis
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2023-12, Vol.38 (1), p.2171029
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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
Author / Creator:Kumar, Vikas ; Sharma, Nitin ; Orfali, Raha ; Patel, Chirag N ; Alnajjar, Radwan ; Saini, Rakshandha ; Sourirajan, Anuradha ; Khosla, Prem Kumar ; Dev, Kamal ; Perveen, Shagufta
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2023-01, Vol.28 (3), p.1046
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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
Author / Creator: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
Publisher:England: Taylor & Francis
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2023-12, Vol.38 (1), p.2202358-2202358
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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
Author / Creator: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.
Publisher:England: Taylor & Francis
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2023-12, Vol.38 (1), p.2202357-2202357
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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
Author / Creator:El-Damasy, Ashraf K ; Kim, Hyun Ji ; Al-Karmalawy, Ahmed A ; Alnajjar, Radwan ; Khalifa, Mohamed M ; Bang, Eun-Kyoung ; Keum, Gyochang
Publisher:Switzerland: MDPI AG
Journal title:Pharmaceuticals (Basel, Switzerland), 2024-03, Vol.17 (4), p.427
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Design, Synthesis, Biological Evaluation, and Molecular Dynamics Studies of Novel Lapatinib Derivatives
Author / Creator: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
Publisher:Switzerland: MDPI AG
Journal title:Pharmaceuticals (Basel, Switzerland), 2022-12, Vol.16 (1), p.43
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Anticholinesterase Activity of Budmunchiamine Alkaloids Revealed by Comparative Chemical Profiling of Two Albizia spp., Molecular Docking and Dynamic Studies
Author / Creator: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
Publisher:Switzerland: MDPI AG
Journal title:Plants (Basel), 2022-11, Vol.11 (23), p.3286
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ArticlesPeer ReviewedFull Text
Detection of Coronaviruses in Bats in Lebanon during 2020
Author / Creator: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
Publisher:Switzerland: MDPI AG
Journal title:Pathogens (Basel), 2023-06, Vol.12 (7), p.876
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ArticlesPeer ReviewedFull Text
Aqueous Solution Equilibria and Spectral Features of Copper Complexes with Tripeptides Containing Glycine or Sarcosine and Leucine or Phenylalanine
Author / Creator:Vicatos, Giselle M. ; Hammouda, Ahmed N. ; Alnajjar, Radwan ; Bonomo, Raffaele P. ; Valora, Gabriele ; Bourne, Susan A. ; Jackson, Graham E.
Publisher:Basel: MDPI AG
Journal title:Inorganics, 2022-01, Vol.10 (1), p.8
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ArticlesPeer ReviewedFull Text
Adsorption Properties of the New Anti-Cancer Drug Alectinib on CNT(6,6-6) Nanotube: Geometry Optimization, Molecular Structure, Spectroscopic (NMR, UV/Vis, Excited State), FMO, MEP and HOMO–LUMO Inves...
Author / Creator:Sheikhi, Masoome ; Shahab, Siyamak ; Alnajjar, Radwan ; Ahmadianarog, Mahin
Publisher:New York: Springer US
Journal title:Journal of cluster science, 2019-01, Vol.30 (1), p.83-96
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In vitro and computational insights revealing the potential inhibitory effect of Tanshinone IIA against influenza A virus
Author / Creator:Elebeedy, Dalia ; Badawy, Ingy ; Elmaaty, Ayman Abo ; Saleh, Moustafa M ; Kandeil, Ahmed ; Ghanem, Aml ; Kutkat, Omnia ; Alnajjar, Radwan ; Abd El Maksoud, Ahmed I ; Al-karmalawy, Ahmed A
Publisher:United States: Elsevier Ltd
Journal title:Computers in biology and medicine, 2022-02, Vol.141, p.105149-105149, Article 105149
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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
Author / Creator: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
Publisher:Basel: MDPI AG
Journal title:International journal of molecular sciences, 2022-10, Vol.23 (20), p.12235
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Multitarget Potential of Phytochemicals from Traditional Medicinal Tree, ITerminalia arjuna/I Wight Arnot as Potential Medicaments for Cardiovascular Disease: An In-Silico Approach
Author / Creator:Kumar, Vikas ; Sharma, Nitin ; Orfali, Raha ; Patel, Chirag N ; Alnajjar, Radwan ; Saini, Rakshandha ; Sourirajan, Anuradha ; Khosla, Prem Kumar ; Dev, Kamal ; Perveen, Shagufta
Publisher:MDPI AG
Journal title:Molecules (Basel, Switzerland), 2023-01, Vol.28 (3)
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ArticlesPeer ReviewedFull Text
Anticholinesterase Activity of Budmunchiamine Alkaloids Revealed by Comparative Chemical Profiling of Two IAlbizia/I spp., Molecular Docking and Dynamic Studies
Author / Creator: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
Publisher:MDPI AG
Journal title:Plants (Basel), 2022-11, Vol.11 (23)
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In Silico Mutational Analysis of ACE2 to Check the Susceptibility of Lung Cancer Patients Towards COVID-19
Author / Creator:Zumama Khalid ; Abeedha Tu-Allah Khan ; Alnajjar, Radwan ; Santali, Eman ; Abdul Rauf Shakoori
Publisher:Durham: Research Square
Journal title:Scientific Reports, 2022
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In silico mutational analysis of ACE2 to check the susceptibility of lung cancer patients towards COVID-19

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Molecular docking and dynamics simulations reveal the potential of anti-HCV drugs to inhibit COVID-19 main protease

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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

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An in-depth study of indolone derivatives as potential lung cancer treatment

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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

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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

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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

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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

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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

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Design, Synthesis, Biological Evaluation, and Molecular Dynamics Studies of Novel Lapatinib Derivatives

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Anticholinesterase Activity of Budmunchiamine Alkaloids Revealed by Comparative Chemical Profiling of Two Albizia spp., Molecular Docking and Dynamic Studies

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Detection of Coronaviruses in Bats in Lebanon during 2020

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Aqueous Solution Equilibria and Spectral Features of Copper Complexes with Tripeptides Containing Glycine or Sarcosine and Leucine or Phenylalanine

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Adsorption Properties of the New Anti-Cancer Drug Alectinib on CNT(6,6-6) Nanotube: Geometry Optimization, Molecular Structure, Spectroscopic (NMR, UV/Vis, Excited State), FMO, MEP and HOMO–LUMO Inves...

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In vitro and computational insights revealing the potential inhibitory effect of Tanshinone IIA against influenza A virus

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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

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Multitarget Potential of Phytochemicals from Traditional Medicinal Tree, ITerminalia arjuna/I Wight Arnot as Potential Medicaments for Cardiovascular Disease: An In-Silico Approach

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Anticholinesterase Activity of Budmunchiamine Alkaloids Revealed by Comparative Chemical Profiling of Two IAlbizia/I spp., Molecular Docking and Dynamic Studies

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In Silico Mutational Analysis of ACE2 to Check the Susceptibility of Lung Cancer Patients Towards COVID-19

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