Published in 2018

Quantum chemical calculations, molecular dynamic (MD) simulations and experimental studies of using some azo dyes as corrosion inhibitors for iron. Part 2: Bis–azo dye derivatives

Authors: Loutfy H. Madkour, Savaş Kaya, Lei Guo, Cemal Kaya

Journal: Journal of Molecular Structure

Published in 2018

Synthesis, antileishmanial and cytotoxicity activities of fused and nonfused tetrahydroquinoline derivatives

Authors: Hassan Mohamed Fawzy Madkour, Maher Abd El-Aziz Mahmoud El-Hashash, Marwa Sayed Salem, Al-Shimaa Omar Ali Mahmoud

Journal: Research on Chemical Intermediates

Published in 2017

Biotechnology of Nucleic Acids Medicines as Gene Therapeutics and Their Drug Complexes

Biotechnology Nucleic Acids Medicines Gene Therapeutics Drug Complexes

Authors: Loutfy H. Madkour

Journal: Journal Chronicles of Pharmaceutical Science

Description:

Nucleic acids play an important role in cellular processes including cell division (DNA replication) and protein synthesis (transcription and translation). The deoxyribonucleic acid or DNA contains the genetic information necessary for the replication of the cell and its functioning after transcription of DNA into RNA and translation of RNA into proteins. These processes occur both in healthy cells, and in cancer cells, in which case they are targets for anti-cancer drugs. Two groups of medications concerning DNA: those, which protect DNA from alterations, due for example to radical reactions, causing cancers and those, which damage DNA of cancerous cells and microorganisms, while respecting if possible DNA of normal cells. Drugs, which damage nucleic acids, DNA and RNA, already constituted, inhibit cellular replication and function. They are used as antineoplastic agents and as antibiotics. Lipid-based vesicles are a very promising approach to treat diseases such as cancer, chronic infections and auto-immunity. Modern drug encapsulation methods allow efficient packing of therapeutic substances inside liposomes, thereby reducing the systemic toxicity of the drugs. Gene therapy is a technique for correcting defective genes responsible for disease development, which may be classified into two types: somatic and germ line gene therapy. Nucleic acid-based molecules (deoxyribonucleic acid, complementary deoxyribonucleic acid, complete genes, ribonucleic acid, and oligonucleotides) are utilized as research tools within the broad borders of gene therapy and the emerging field of molecular medicine.“Nucleic acid medicine” is a next generation …

Published in 2017

Advanced AuNMs as Nanomedicine’scentral Goals Capable of Active Targeting in Both Imaging and Therapy in Biomolecules

Authors: -

Journal: BAOJ Nanotechnology

Published in 2017

Coral reefs as a tool for monitoring environmental and radiation hazards

Authors: -

Journal: Arabian Journal of Geosciences

Published in 2017

Detection of carbapenemase-producers: Evaluating the performance of the carbapenem inactivation method and Carba NP test versus multiplex PCR

Authors: Lamiaa A. Madkour, May S. Soliman, Dina M. Hassan, Noha S. Soliman, Yasmin A. ElMahdy

Journal: Journal of Global Antimicrobial Resistance

Published in 2017

Human Metapneumovirus Pediatric Respiratory Infections: Comparing Direct Immunofluorescence versus Polymerase Chain Reaction

Authors: -

Journal: Archives of Pediatric Infectious Diseases

Published in 2017

Invertebrate shells (mollusca, foraminifera) as pollution indicators, Red Sea Coast, Egypt

Authors: Mohamed Youssef, Hashem Madkour, Abbas Mansour, Wedad Alharbi, Atef El-Taher

Journal: Journal of African Earth Sciences

Published in 2017

Serology versus Real Time PCR in the Diagnosis of Human Brucellosis

Authors: Sara El-Hossain Aly Reda, Mona A. Abd El-Messiah, Lamiaa A Madkour, Abd El- Meguid Kassem

Journal: Journal of Pure and Applied Microbiology

Published in 2016

Quantum chemical and molecular dynamics simulation studies on inhibition performances of some thiazole and thiadiazole derivatives against corrosion of iron

Quantum chemical studies molecular dynamics simulation studies thiazole and thiadiazole corrosion of iron

Authors: Loutfy H. Madkour

Journal: Journal of Molecular Liquids Volume 219, July 2016, Pages 497-504

Description:

In the present study, to predict corrosion inhibition performances of 2-amino-4-(4-chlorophenyl)-thiazole (Inh1), 2-amino-4-(4-bromophenyl)-thiazole (Inh2), 4-(2-aminothiazole-4-yl)-phenol (Inh3), 5,5′-(ethane-1, 2-diyldisulfanediyl) bis-(1,3,4-thiadiazole-2-amine) (Inh4), 5,5′-(propane-1,3-diyldisulfanediyl) bis-(1,3,4-thiadiazole-2-amine) (Inh5) against corrosion of Fe metal, density functional theory (DFT) calculations and molecular dynamics simulations approach were performed on these mentioned molecules. Firstly, quantum chemical parameters such as the highest occupied molecular orbital energy (EHOMO), lowest unoccupied molecular orbital energy (ELUMO), the energy gap between ELUMO and EHOMO (ΔE), chemical hardness, softness, electronegativity, proton affinity, global electrophilicity, global nucleophilicity and total energy (sum of electronic and zero-point energies) were calculated and discussed with the help of HF/SDD, HF/6-311G, HF/6-31 ++G, B3LYP/SDD, B3LYP/6-311G and B3LYP/6-31 ++G methods. Then, we calculated binding energies on Fe(110) surface of aforementioned thiazole and thiadiazole derivatives to investigate the strength of the interactions between metal surface and these molecules. The theoretical data obtained are in good agreement with the experimental inhibition efficiency results earlier reported.