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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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Novel topoisomerase II/EGFR dual inhibitors: design, synthesis and docking studies of naphtho[2′,3′:4,5]thiazolo[3,2-a]pyrimidine hybrids as potential anticancer agents with apoptosis inducing activit...
Author / Creator:Mourad, Mai A. E. ; Abo Elmaaty, Ayman ; Zaki, Islam ; Mourad, Ahmed A. E. ; Hofni, Amal ; Khodir, Ahmed E. ; Aboubakr, Esam M. ; Elkamhawy, Ahmed ; Roh, Eun Joo ; Al-Karmalawy, Ahmed A.
Publisher:England: Taylor & Francis
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2023-12, Vol.38 (1), p.2205043-2205043
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Computational Insights on the Potential of Some NSAIDs for Treating COVID-19: Priority Set and Lead Optimization
Author / Creator:Abo Elmaaty, Ayman ; Hamed, Mohammed I A ; Ismail, Muhammad I ; B Elkaeed, Eslam ; S Abulkhair, Hamada ; Khattab, Muhammad ; Al-Karmalawy, Ahmed A
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2021-06, Vol.26 (12), p.3772
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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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Ligand-based design, synthesis, computational insights, and in vitro studies of novel N-(5-Nitrothiazol-2-yl)-carboxamido derivatives as potent inhibitors of SARS-CoV-2 main protease
Author / Creator:Elagawany, Mohamed ; Elmaaty, Ayman Abo ; Mostafa, Ahmed ; Abo Shama, Noura M. ; Santali, Eman Y. ; Elgendy, Bahaa ; Al-Karmalawy, Ahmed A.
Publisher:England: Taylor & Francis
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2022-12, Vol.37 (1), p.2112-2132
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Biological evaluation, docking studies, and in silico ADME prediction of some pyrimidine and pyridine derivatives as potential EGFRWT and EGFRT790M inhibitors
Author / Creator:Al-Warhi, Tarfah ; Al-Karmalawy, Ahmed A. ; Elmaaty, Ayman Abo ; Alshubramy, Maha A. ; Abdel-Motaal, Marwa ; Majrashi, Taghreed A. ; Asem, Medhat ; Nabil, Ahmed ; Eldehna, Wagdy M. ; Sharaky, Marwa
Publisher:Abingdon: Taylor & Francis
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2023-12, Vol.38 (1), p.176-191
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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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Ligand-based design and synthesis of N'-Benzylidene-3,4-dimethoxybenzohydrazide derivatives as potential antimicrobial agents; evaluation by in vitro, in vivo, and in silico approaches with SAR studie...
Author / Creator:Ezz Eldin, Rogy R. ; Saleh, Marwa A. ; Alotaibi, Mohammad Hayal ; Alsuair, Reem K. ; Alzahrani, Yahya A. ; Alshehri, Feras A. ; Mohamed, Amany F. ; Hafez, Shaimaa M. ; Althoqapy, Azza Ali ; Khirala, Seham K. ; Amin, Mona M. ; A. F, Yousuf ; AbdElwahab, Azza H. ; Alesawy, Mohamed S. ; Elmaaty, Ayman Abo ; Al-Karmalawy, Ahmed A.
Publisher:England: Taylor & Francis
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2022-12, Vol.37 (1), p.1098-1119
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A Systematic Review of the Global Intervention for SARS-CoV-2 Combating: From Drugs Repurposing to Molnupiravir Approval
Author / Creator:Ashour, Nada A ; Abo Elmaaty, Ayman ; Sarhan, Amany A ; Elkaeed, Eslam B ; Moussa, Ahmed M ; Erfan, Ibrahim Ali ; Al-Karmalawy, Ahmed A
Publisher:New Zealand: Dove Medical Press Limited
Journal title:Drug design, development and therapy, 2022-01, Vol.16, p.685-715
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ArticlesPeer ReviewedFull Text
RETRACTED: Ezz Eldin et al. Design and Synthesis of Novel 5-((3-(Trifluoromethyl)piperidin-1-yl)sulfonyl)indoline-2,3-dione Derivatives as Promising Antiviral Agents: In Vitro, In Silico, and Structur...
Author / Creator:Ezz Eldin, Rogy R ; Saleh, Marwa A ; Alwarsh, Sefat A ; Rushdi, Areej ; Althoqapy, Azza Ali ; El Saeed, Hoda S ; Abo Elmaaty, Ayman
Publisher:Switzerland: MDPI AG
Journal title:Pharmaceuticals (Basel, Switzerland), 2025-02, Vol.18 (2), p.226
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Coronavirus Disease (COVID-19) Control between Drug Repurposing and Vaccination: A Comprehensive Overview
Author / Creator:Al-Karmalawy, Ahmed A. ; Soltane, Raya ; Abo Elmaaty, Ayman ; Tantawy, Mohamed A. ; Antar, Samar A. ; Yahya, Galal ; Chrouda, Amani ; Pashameah, Rami Adel ; Mustafa, Muhamad ; Abu Mraheil, Mobarak ; Mostafa, Ahmed
Publisher:Basel: MDPI AG
Journal title:Vaccines (Basel), 2021-11, Vol.9 (11), p.1317
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Design and Synthesis of Novel 5-((3-(Trifluoromethyl)piperidin-1-yl)sulfonyl)indoline-2,3-dione Derivatives as Promising Antiviral Agents: In Vitro, In Silico, and Structure-Activity Relationship Stud...
Author / Creator:Ezz Eldin, Rogy R ; Saleh, Marwa A ; Alwarsh, Sefat A ; Rushdi, Areej ; Althoqapy, Azza Ali ; El Saeed, Hoda S ; Abo Elmaaty, Ayman
Publisher:Switzerland: MDPI AG
Journal title:Pharmaceuticals (Basel, Switzerland), 2023-09, Vol.16 (9), p.1247
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Phytochemical Characterization of Pterocephalus frutescens with In-Silico Evaluation as Chemotherapeutic Medicine and Oral Pharmacokinetics Prediction Study
Author / Creator:El-Hela, Atef A. ; Bakr, Marwa S. Abu ; Hegazy, Mostafa M. ; Dahab, Mohammed A. ; Elmaaty, Ayman Abo ; Ibrahim, Adel Ehab ; El Deeb, Sami ; Abbass, Hatem S.
Publisher:Basel: MDPI AG
Journal title:Scientia pharmaceutica, 2023-01, Vol.91 (1), p.7
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Tamarindus indica Extract as a Promising Antimicrobial and Antivirulence Therapy
Author / Creator:Ghaly, Mohamed F ; Albalawi, Marzough Aziz ; Bendary, Mahmoud M ; Shahin, Ahmed ; Shaheen, Mohamed A ; Abu Eleneen, Abeer F ; Ghoneim, Mohammed M ; Elmaaty, Ayman Abo ; Elrefai, Mohamed F M ; Zaitone, Sawsan A ; Abousaty, Amira I
Publisher:Switzerland: MDPI AG
Journal title:Antibiotics (Basel), 2023-02, Vol.12 (3), p.464
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Determination of six drugs used for treatment of common cold by micellar liquid chromatography
Author / Creator:Ibrahim, Adel Ehab ; Elmaaty, Ayman Abo ; El-Sayed, Heba Mohamed
Publisher:Berlin/Heidelberg: Springer Berlin Heidelberg
Journal title:Analytical and bioanalytical chemistry, 2021-08, Vol.413 (20), p.5051-5065
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Biological evaluation, docking studies, and in silico ADME prediction of some pyrimidine and pyridine derivatives as potential EGFR WT and EGFR T790M inhibitors
Author / Creator:Al-Warhi, Tarfah ; Al-Karmalawy, Ahmed A. ; Elmaaty, Ayman Abo ; Alshubramy, Maha A. ; Abdel-Motaal, Marwa ; Majrashi, Taghreed A. ; Asem, Medhat ; Nabil, Ahmed ; Eldehna, Wagdy M. ; Sharaky, Marwa
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2023-12, Vol.38 (1), p.176-191
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RETRACTED: Ezz Eldin et al. Design and Synthesis of Novel 5-indoline-2,3-dione Derivatives as Promising Antiviral Agents: In Vitro, In Silico, and Structure–Activity Relationship Studies. Pharmaceutic...
Author / Creator:Ezz Eldin, Rogy R ; Saleh, Marwa A ; Alwarsh, Sefat A ; Rushdi, Areej ; Althoqapy, Azza Ali ; El Saeed, Hoda S ; Abo Elmaaty, Ayman
Publisher:MDPI AG
Journal title:Pharmaceuticals (Basel, Switzerland), 2025-02, Vol.18 (2)
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RETRACTED: Design and Synthesis of Novel 5-((3-(Trifluoromethyl)piperidin-1-yl)sulfonyl)indoline-2,3-dione Derivatives as Promising Antiviral Agents: In Vitro, In Silico, and Structure–Activity Relati...
Author / Creator:Ezz Eldin, Rogy ; Saleh, Marwa ; Alwarsh, Sefat ; Rushdi, Areej ; Althoqapy, Azza ; El Saeed, Hoda ; Abo Elmaaty, Ayman
Journal title:Pharmaceuticals (Basel, Switzerland), 2023-09, Vol.16 (9), p.1247
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ArticlesPeer ReviewedFull Text
Design and Synthesis of Novel 5-indoline-2,3-dione Derivatives as Promising Antiviral Agents: In Vitro, In Silico, and Structure–Activity Relationship Studies
Author / Creator:Ezz Eldin, Rogy R ; Saleh, Marwa A ; Alwarsh, Sefat A ; Rushdi, Areej ; Althoqapy, Azza Ali ; El Saeed, Hoda S ; Abo Elmaaty, Ayman
Publisher:MDPI AG
Journal title:Pharmaceuticals (Basel, Switzerland), 2023-09, Vol.16 (9)
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Phytochemical Characterization of IPterocephalus frutescens/I with In-Silico Evaluation as Chemotherapeutic Medicine and Oral Pharmacokinetics Prediction Study
Author / Creator:El-Hela, Atef A ; Bakr, Marwa S. Abu ; Hegazy, Mostafa M ; Dahab, Mohammed A ; Elmaaty, Ayman Abo ; Ibrahim, Adel Ehab ; El Deeb, Sami ; Abbass, Hatem S
Publisher:MDPI AG
Journal title:Scientia pharmaceutica, 2023-01, Vol.91 (1)
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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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Novel topoisomerase II/EGFR dual inhibitors: design, synthesis and docking studies of naphtho[2′,3′:4,5]thiazolo[3,2-a]pyrimidine hybrids as potential anticancer agents with apoptosis inducing activit...

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Computational Insights on the Potential of Some NSAIDs for Treating COVID-19: Priority Set and Lead Optimization

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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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Ligand-based design, synthesis, computational insights, and in vitro studies of novel N-(5-Nitrothiazol-2-yl)-carboxamido derivatives as potent inhibitors of SARS-CoV-2 main protease

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Biological evaluation, docking studies, and in silico ADME prediction of some pyrimidine and pyridine derivatives as potential EGFRWT and EGFRT790M inhibitors

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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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Ligand-based design and synthesis of N'-Benzylidene-3,4-dimethoxybenzohydrazide derivatives as potential antimicrobial agents; evaluation by in vitro, in vivo, and in silico approaches with SAR studie...

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A Systematic Review of the Global Intervention for SARS-CoV-2 Combating: From Drugs Repurposing to Molnupiravir Approval

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RETRACTED: Ezz Eldin et al. Design and Synthesis of Novel 5-((3-(Trifluoromethyl)piperidin-1-yl)sulfonyl)indoline-2,3-dione Derivatives as Promising Antiviral Agents: In Vitro, In Silico, and Structur...

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Coronavirus Disease (COVID-19) Control between Drug Repurposing and Vaccination: A Comprehensive Overview

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Design and Synthesis of Novel 5-((3-(Trifluoromethyl)piperidin-1-yl)sulfonyl)indoline-2,3-dione Derivatives as Promising Antiviral Agents: In Vitro, In Silico, and Structure-Activity Relationship Stud...

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Phytochemical Characterization of Pterocephalus frutescens with In-Silico Evaluation as Chemotherapeutic Medicine and Oral Pharmacokinetics Prediction Study

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Tamarindus indica Extract as a Promising Antimicrobial and Antivirulence Therapy

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Determination of six drugs used for treatment of common cold by micellar liquid chromatography

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Biological evaluation, docking studies, and in silico ADME prediction of some pyrimidine and pyridine derivatives as potential EGFR WT and EGFR T790M inhibitors

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RETRACTED: Ezz Eldin et al. Design and Synthesis of Novel 5-indoline-2,3-dione Derivatives as Promising Antiviral Agents: In Vitro, In Silico, and Structure–Activity Relationship Studies. Pharmaceutic...

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RETRACTED: Design and Synthesis of Novel 5-((3-(Trifluoromethyl)piperidin-1-yl)sulfonyl)indoline-2,3-dione Derivatives as Promising Antiviral Agents: In Vitro, In Silico, and Structure–Activity Relati...

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Design and Synthesis of Novel 5-indoline-2,3-dione Derivatives as Promising Antiviral Agents: In Vitro, In Silico, and Structure–Activity Relationship Studies

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Phytochemical Characterization of IPterocephalus frutescens/I with In-Silico Evaluation as Chemotherapeutic Medicine and Oral Pharmacokinetics Prediction Study

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