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Potential drug candidates as P-glycoprotein inhibitors to reverse multidrug resistance in cancer: an in silico drug discovery study.

Autor: Ibrahim MAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt.; School of Health Sciences, University of KwaZulu-Natal, Westville, Durban, South Africa., Abdeljawaad KAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt., Jaragh-Alhadad LA; Department of Chemistry, Faculty of Science, Kuwait University, Safat, Kuwait., Oraby HF; Deanship of Scientific Research, Umm Al-Qura University, Makkah, Saudi Arabia., Atia MAM; Molecular Genetics and Genome Mapping Laboratory, Genome Mapping Department, Agricultural Genetic Engineering Research Institute (AGERI), ARC, Giza, Egypt., Alzahrani OR; Department of Biology, Faculty of Sciences, University of Tabuk, Tabuk, Saudi Arabia., Mekhemer GAH; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt., Moustafa MF; Department of Biology, College of Science, King Khalid University, Abha, Saudi Arabia.; Department of Botany and Microbiology, Faculty of Science, South Valley University, Qena, Egypt., Shawky AM; Science and Technology Unit (STU), Umm Al-Qura University, Makkah, Saudi Arabia., Sidhom PA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta, Egypt., Abdelrahman AHM; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, Egypt.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023; Vol. 41 (23), pp. 13977-13992. Date of Electronic Publication: 2023 Mar 08.

Exploring Natural Product Activity and Species Source Candidates for Hunting ABCB1 Transporter Inhibitors: An In Silico Drug Discovery Study.

Autor: Ibrahim MAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt., Abdeljawaad KAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt., Abdelrahman AHM; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt., Jaragh-Alhadad LA; Department of Chemistry, Faculty of Science, Kuwait University, Safat 13060, Kuwait., Oraby HF; Deanship of Scientific Research, Umm Al-Qura University, Makkah 21955, Saudi Arabia.; Department of Crop Science, Faculty of Agriculture, Zagazig University, Zagazig 44519, Egypt., Elkaeed EB; Department of Pharmaceutical Sciences, College of Pharmacy, AlMaarefa University, Riyadh 13713, Saudi Arabia., Mekhemer GAH; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt., Gabr GA; Department of Pharmacology and Toxicology, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia.; Agricultural Genetic Engineering Research Institute (AGERI), Agricultural Research Center, Giza 12619, Egypt., Shawky AM; Science and Technology Unit (STU), Umm Al-Qura University, Makkah 21955, Saudi Arabia., Sidhom PA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta 31527, Egypt., Soliman MES; Molecular Bio-Computation and Drug Design Research Group, School of Health Sciences, University of KwaZulu-Natal, Westville, Durban 4000, South Africa., Moustafa MF; Department of Biology, College of Science, King Khalid University, Abha 9004, Saudi Arabia.; Department of Botany and Microbiology, Faculty of Science, South Valley University, Qena 83523, Egypt., Paré PW; Department of Chemistry & Biochemistry, Texas Tech University, Lubbock, TX 79409, USA., Hegazy MF; Chemistry of Medicinal Plants Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza 12622, Egypt.

Publikováno v: Molecules (Basel, Switzerland) [Molecules] 2022 May 12; Vol. 27 (10). Date of Electronic Publication: 2022 May 12.

In Silico Targeting Human Multidrug Transporter ABCG2 in Breast Cancer: Database Screening, Molecular Docking, and Molecular Dynamics Study.

Autor: Ibrahim MAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt., Badr EAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt., Abdelrahman AHM; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt., Almansour NM; Department of Biology, College of Science, University of Hafr Al Batin, Hafr Al Batin, 1803, Saudi Arabia., Mekhemer GAH; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt., Shawky AM; Science and Technology Unit (STU), Umm Al-Qura University, Makkah, 21955, Saudi Arabia., Moustafa MF; Department of Biology, College of Science, King Khalid University, Abha, 9004, Saudi Arabia.; Department of Botany & Microbiology, Faculty of Science, South Valley University, Qena, Egypt., Atia MAM; Molecular Genetics and Genome Mapping Laboratory, Genome Mapping Department, Agricultural Genetic Engineering Research Institute (AGERI), Agricultural Research Center (ARC), Giza, 12619, Egypt.

Publikováno v: Molecular informatics [Mol Inform] 2022 Feb; Vol. 41 (2), pp. e2060039. Date of Electronic Publication: 2021 Sep 07.

Gastroprotection against Rat Ulcers by Nephthea Sterol Derivative.

Autor: Mohamed TA; National Research Centre, Chemistry of Medicinal Plants Department, 33 El-Bohouth St., Dokki, Giza 12622, Egypt., Elshamy AI; National Research Centre, Chemistry of Natural Compounds Department, Dokki, Giza 12622, Egypt., Ibrahim MAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt., Atia MAM; Molecular Genetics and Genome Mapping Laboratory, Genome Mapping Department, Agricultural Genetic Engineering Research Institute (AGERI), Agricultural Research Center (ARC), Giza 12619, Egypt., Ahmed RF; National Research Centre, Chemistry of Natural Compounds Department, Dokki, Giza 12622, Egypt., Ali SK; National Research Centre, Chemistry of Medicinal Plants Department, 33 El-Bohouth St., Dokki, Giza 12622, Egypt., Mahdy KA; National Research Centre, Medical Biochemistry Department, 33 El Bohouth St., Dokki, Giza 12622, Egypt., Alshammari SO; Department of Biology, College of Science, University of Hafr Al Batin, Hafar Al Batin 39524, Saudi Arabia., Al-Abd AM; Department of Pharmaceutical Sciences, College of Pharmacy & Thumbay Research Institute for Precision Medicine, Gulf Medical University, Ajman 4184, United Arab Emirates.; Pharmacology Department, Medical Division, National Research Centre, Cairo 12622, Egypt., Moustafa MF; Department of Biology, College of Science, King Khalid University, Abha 9004, Saudi Arabia.; Department of Botany & Microbiology, Faculty of Science, South Valley University, Qena 83523, Egypt., Farrag ARH; National Research Centre, Pathology Department, 33 El Bohouth St., Dokki, Giza 12622, Egypt., Hegazy MF; National Research Centre, Chemistry of Medicinal Plants Department, 33 El-Bohouth St., Dokki, Giza 12622, Egypt.

Publikováno v: Biomolecules [Biomolecules] 2021 Aug 21; Vol. 11 (8). Date of Electronic Publication: 2021 Aug 21.