Density Functional Theory, Chemical Reactivity, Pharmacological Potential and Molecular Docking of Dihydrothiouracil-Indenopyridopyrimidines with Human-DNA Topoisomerase II
Elshakre, Mohamed E, Noamaan, Mahmoud A, Moustafa, Hussein, Butt, Haider
Published in International journal of molecular sciences (13.02.2020)
Published in International journal of molecular sciences (13.02.2020)
Get full text
Journal Article
A Computational QSAR, Molecular Docking and In Vitro Cytotoxicity Study of Novel Thiouracil-Based Drugs with Anticancer Activity against Human-DNA Topoisomerase II
Khaled, Doaa M, Elshakre, Mohamed E, Noamaan, Mahmoud A, Butt, Haider, Abdel Fattah, Marwa M, Gaber, Dalia A
Published in International journal of molecular sciences (05.10.2022)
Published in International journal of molecular sciences (05.10.2022)
Get full text
Journal Article
Discovery of Novel Coumarin-Schiff Base Hybrids as Potential Acetylcholinesterase Inhibitors: Design, Synthesis, Enzyme Inhibition, and Computational Studies
Hasan, Aso Hameed, Abdulrahman, Faruq Azeez, Obaidullah, Ahmad J, Alotaibi, Hadil Faris, Alanazi, Mohammed M, Noamaan, Mahmoud A, Murugesan, Sankaranarayanan, Amran, Syazwani Itri, Bhat, Ajmal R, Jamalis, Joazaizulfazli
Published in Pharmaceuticals (Basel, Switzerland) (01.07.2023)
Published in Pharmaceuticals (Basel, Switzerland) (01.07.2023)
Get full text
Journal Article
Benzyloxychalcone Hybrids as Prospective Acetylcholinesterase Inhibitors against Alzheimer’s Disease: Rational Design, Synthesis, In Silico ADMET Prediction, QSAR, Molecular Docking, DFT, and Molecular Dynamic Simulation Studies
Al-Maqtari, Helmi Mohammed, Hasan, Aso Hameed, Suleiman, Mustapha, Ahmad Zahidi, Muhammad Asraf, Noamaan, Mahmoud A., Alexyuk, Pavel, Alexyuk, Madina, Bogoyavlenskiy, Andrey, Jamalis, Joazaizulfazli
Published in ACS omega (30.07.2024)
Published in ACS omega (30.07.2024)
Get full text
Journal Article
Synthesis, DFT, computational exploration of chemical reactivity, molecular docking studies of novel formazan metal complexes and their biological applications
Khan, Shakeel Ahmad, Rizwan, Komal, Shahid, Sammia, Noamaan, Mahmoud A., Rasheed, Tahir, Amjad, Hira
Published in Applied organometallic chemistry (01.03.2020)
Published in Applied organometallic chemistry (01.03.2020)
Get full text
Journal Article
Antibacterial Activity of Quinoline‐Based Derivatives against Methicillin‐Resistant Staphylococcus aureus and Pseudomonas aeruginosa: Design, Synthesis, DFT and Molecular Dynamic Simulations
Sabt, Ahmed, Abdelraof, Mohamed, Hamissa, Mohamed Farouk, Noamaan, Mahmoud A.
Published in Chemistry & biodiversity (01.11.2023)
Published in Chemistry & biodiversity (01.11.2023)
Get full text
Journal Article
DFT and molecular simulation validation of the binding activity of PDEδ inhibitors for repression of oncogenic k-Ras
Majrashi, Taghreed A, Sabt, Ahmed, Almahli, Hadia, El Hassab, Mahmoud A, Noamaan, Mahmoud A, Elkaeed, Eslam B, Hamissa, Mohamed Farouk, Maslamani, Abdalkareem Nael, Shaldam, Moataz A, Eldehna, Wagdy M
Published in PloS one (08.03.2024)
Published in PloS one (08.03.2024)
Get full text
Journal Article
Direct orange 26 dye environmental degradation: experimental studies (UV, mass, and thermal) in comparison with computational exploration hydrogen bonding analysis of TD-DFT calculations
Abo-Ayad, Zahraa A., Zayed, Mohamed A., Noamaan, Mahmoud A.
Published in Journal of molecular modeling (01.11.2021)
Published in Journal of molecular modeling (01.11.2021)
Get full text
Journal Article
Synthesis, spectral characterization, DFT calculations, pharmacological studies, CT-DNA binding and molecular docking of potential N, O-multidentate chelating ligand and its VO(II), Zn(II) and ZrO(II) chelates
Abdel-Rahman, Laila H., Al–Farhan, Badriah Saad, Al Zamil, Noura O., Noamaan, Mahmoud A., El-Sayed Ahmed, Hanan, Adam, Mohamed Shaker S.
Published in Bioorganic chemistry (01.09.2021)
Published in Bioorganic chemistry (01.09.2021)
Get full text
Journal Article
Novel Triazole Thiole ligand and some of its metal chelates: Synthesis, structure charactertization, thermal behavior in comparison withcomputational caculations andbiological activities
Zayed, Ehab M., Zayed, M.A., Abd El Salam, Hayam A., Noamaan, Mahmoud A.
Published in Computational biology and chemistry (01.02.2019)
Published in Computational biology and chemistry (01.02.2019)
Get full text
Journal Article
DFT and molecular simulation validation of the binding activity of PDE[delta] inhibitors for repression of oncogenic k-Ras
Majrashi, Taghreed A, Sabt, Ahmed, Almahli, Hadia, El Hassab, Mahmoud A, Noamaan, Mahmoud A, Elkaeed, Eslam B, Hamissa, Mohamed Farouk, Maslamani, Abdalkareem Nael, Shaldam, Moataz A, Eldehna, Wagdy M
Published in PloS one (08.03.2024)
Published in PloS one (08.03.2024)
Get full text
Journal Article