List of works - Mahmoud A A Ibrahim

AMBER Empirical Potential Describes the Geometry and Energy of Noncovalent Halogen Interactions Better than Advanced Semiempirical Quantum Mechanical Method PM6-DH2X ⬇️

scientific article published on March 6, 2012

Carotane sesquiterpenes from Ferula vesceritensis: in silico analysis as SARS-CoV-2 binding inhibitors

scientific article published on 18 September 2020

Cembrene Diterpenoids with Ether Linkages from Sarcophyton ehrenbergi: An Anti-Proliferation and Molecular-Docking Assessment.

scientific article published on 21 June 2017

Comparative Modeling and Evaluation of Leukotriene B4 Receptors for Selective Drug Discovery Towards the Treatment of Inflammatory Diseases

scientific article published on 01 December 2018

Comparison of the molecular dynamics and calculated binding free energies for nine FDA-approved HIV-1 PR drugs against subtype B and C-SA HIV PR.

scientific article published on 19 November 2012

Copper Complexes of 1,4-Naphthoquinone Containing Thiosemicarbazide and Triphenylphosphine Oxide Moieties; Synthesis and Identification by NMR, IR, Mass, UV Spectra, and DFT Calculations

scientific article published in 2022

Design, Synthesis, and Molecular Docking of Paracyclophanyl-Thiazole Hybrids as Novel CDK1 Inhibitors and Apoptosis Inducing Anti-Melanoma Agents

scientific article published on 27 November 2020

Design, synthesis and biological evaluation of fused naphthofuro[3,2-c] quinoline-6,7,12-triones and pyrano[3,2-c]quinoline-6,7,8,13-tetraones derivatives as ERK inhibitors with efficacy in BRAF-mutant melanoma

scientific article published on 23 October 2018

Euphosantianane A⁻D: Antiproliferative Premyrsinane Diterpenoids from the Endemic Egyptian Plant

article

Identification of novel Plasmodium falciparum PI4KB inhibitors as potential anti-malarial drugs: Homology modeling, molecular docking and molecular dynamics simulations

scientific article published on 23 March 2019

In Vitro and In Silico Evaluation of Anticancer Activity of New Indole-Based 1,3,4-Oxadiazoles as EGFR and COX-2 Inhibitors

scientific article published on 07 November 2020

In-silico drug repurposing and molecular dynamics puzzled out potential SARS-CoV-2 main protease inhibitors

scientific article published on 20 July 2020

Kaemgalangol A: Unusual seco-isopimarane diterpenoid from aromatic ginger Kaempferia galanga

scientific article published on 18 June 2018

Molecular mechanical perspective on halogen bonding

scientific article published on 30 May 2012

Molecular mechanical study of halogen bonding in drug discovery ⬇️

scientific article published on May 19, 2011

Natural-like products as potential SARS-CoV-2 Mpro inhibitors: in-silico drug discovery

scientific article published on 08 July 2020

Performance Assessment of Semiempirical Molecular Orbital Methods in Describing Halogen Bonding: Quantum Mechanical and Quantum Mechanical/Molecular Mechanical-Molecular Dynamics Study ⬇️

scientific article published on September 26, 2011

Pigmentosins from Gibellula sp. as antibiofilm agents and a new glycosylated asperfuran from Cordyceps javanica ⬇️

scientific article published on 16 December 2019

Quantum-mechanical investigation of tetrel bond characteristics based on the point-of-charge (PoC) approach

scientific article published on 27 July 2018

Repurposing of FDA-approved antivirals, antibiotics, anthelmintics, antioxidants, and cell protectives against SARS-CoV-2 papain-like protease

scientific article published on 29 June 2020

Repurposing potential of posaconazole and grazoprevir as inhibitors of SARS-CoV-2 helicase

scientific article published on 13 May 2021

Synthesis of novel 1,2-bis-quinolinyl-1,4-naphthoquinones: ERK2 inhibition, cytotoxicity and molecular docking studies

scientific article published on 14 September 2018

Synthesis, antiproliferative, anti-tubulin activity, and docking study of new 1,2,4-triazoles as potential combretastatin analogues.

scientific article

Two novel oxetane containing lignans and a new megastigmane from Paronychia arabica and in silico analysis of them as prospective SARS-CoV-2 inhibitors

scientific article published on 04 June 2021

List of works by Mahmoud A A Ibrahim