Search Results - "Aboulmouhajir, Aziz"

Electronic investigation and spectroscopic analysis using DFT with the long-range dispersion correction on the six lowest conformers of 2.2.3-trimethyl pentane by Hachim, Mouhi Eddine, Sadik, Karima, Byadi, Said, Aboulmouhajir, Aziz

“…The conformational stability and internal rotation barriers, HOMO-LUMO gap and related properties, molecular static polarizability and hyperpolarizability…”
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Synthesis of eugenol derivative by the ring opening of epoxide eugenol and its analysis through chemical reactivity: a DFT approach by Abdou, Achraf, Maaghloud, Fatima Ezzahra, Elmakssoudi, Abdelhakim, Aboulmouhajir, Aziz, Jamal Eddine, Jamal, Dakir, Mohamed

“…Eugenol, a plant bioactive component, is frequently found in a variety of medicinal plants with well-defined functional attributes. Essential oils containing…”
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Ab initio study on the six lowest energy conformers of iso-octane: conformational stability, barriers to internal rotation, natural bond orbital and first-order hyperpolarizability analyses, UV and NMR predictions, spectral temperature sensitivity, and scaled vibrational assignment by Hachim, Mouhi Eddine, Sadik, Karima, Byadi, Said, Van Alsenoy, Christian, Aboulmouhajir, Aziz

“…In this paper, we present the quantum electronic study of iso-octane, based on MP2 and B3LYP methods using the 6-311++G(d,p) basis set. In addition to…”
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Combining a QSAR Approach and Structural Analysis to Derive an SAR Map of Lyn Kinase Inhibition by Naboulsi, Imane, Aboulmouhajir, Aziz, Kouisni, Lamfeddal, Bekkaoui, Faouzi, Yasri, Abdelaziz

“…Lyn kinase, a member of the Src family of protein tyrosine kinases, is mainly expressed by various hematopoietic cells, neural and adipose tissues. Abnormal…”
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Valorization of Pistacia lentiscus extracts from Morocco: phytochemistry and antibacterial activity by Hayani, Mouhcine, Byadi, Said, Benabbouha, Tariq, Kachmar, Mohamed Reda, Chafi, Mohammed, Aboulmouhajir, Aziz, Touriya, Zair

“…Pistacia lentiscus of the Anacardiaceae family is very abundant in the Ouazzane region (Morocco) and is widely used by the local population for its therapeutic…”
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Mechanistic elucidation of Diels–Alder cycloaddition reactions between quinoflavonoid and substituted butadiene using LOL, ELF, QTAIM, and DFT studies by Hammoudan, Imad, Aboulmouhajir, Aziz, Dakir, Mohamed, Temsamani, Driss Riffi, Bakhouch, Mohamed, Bazi, Doaa El, Chtita, Samir

“…Computations of the Diels–Alder reactions of quinoflavonoid with diene at the density functional theory (DFT) with the hybrid functional B3LYP using the basis…”
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Crataegus oxyacantha Extract as a Biostimulant to Enhance Tolerance to Salinity in Tomato Plants by Naboulsi, Imane, Ben Mrid, Reda, Ennoury, Abdelhamid, Zouaoui, Zakia, Nhiri, Mohamed, Ben Bakrim, Widad, Yasri, Abdelaziz, Aboulmouhajir, Aziz

“…Salinity is a severe abiotic problem that has harmful impacts on agriculture. Recently, biostimulants were defined as bioprotectant materials that promote…”
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In silico and in vivo anti-inflammatory effect of eugenol and acetyleugenol by Abdou, Achraf, Ennaji, Hanane, Maaghloud, Fatima Ezzahra, Azhary, Khadija El, Badou, Abdallah, Elmakssoudi, Abdelhakim, Aboulmouhajir, Aziz, Ibenmoussa, Samir, JamalEddine, Jamal, Dakir, Mohamed

“…•The essential oil of clove bud was extracted using hydrodistillation and analyses by GC–MS.•Ten compounds were identified and docked with Cyclooxygenase II…”
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Insecticidal Activities of Atriplex halimus L., Salvia rosmarinus Spenn. and Cuminum cyminum L. against Dactylopius opuntiae (Cockerell) under Laboratory and Greenhouse Conditions by Naboulsi, Imane, El Fakhouri, Karim, Lamzira, Rachid, Ramdani, Chaimae, Bitchagno, Gabin Thierry M, Boulamtat, Rachid, Bakrim, Widad Ben, Mahdi, Ismail, Aboulmouhajir, Aziz, Yasri, Abdelaziz, El Bouhssini, Mustapha, Ward, Jane L, Sobeh, Mansour

“…The wild cochineal (Hemiptera: Dactylopiidae) is one of the major insect pests of the prickly pear (L.) in Morocco, a well-known fruit and vegetable crop of…”
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Synthesis of new set of imidazo[1,2-a]pyridine-schiff bases derivatives as potential antimicrobial agents: Experimental and theoretical approaches by Roby, Othmane, Kadiri, Fatima Zahra, Loukhmi, Zineb, Moutaouakil, Mohamed, Tighadouini, Said, Saddik, Rafik, Aboulmouhajir, Aziz

“…•Efficient synthesis of novel imidazopyridine Schiff bases derivatives with potent antimicrobial properties.•The results showed that compounds 3k and 3n…”
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Quantum and dynamic investigations of Complex iron- alkaloid-extract Cytisine derivatives of Retama monosperma (L.) Boiss. Seeds as eco-friendly inhibitors for Mild steel corrosion in 1M HCl by Sadik, Karima, El hamdani, Naoual, Byadi, Said, Hachim, Mouhi Eddine, El harafi, Hayat, Aboulmouhajir, Aziz

“…•The adsorption of Cytisine derivatives on the iron surface was modeled using DFT calculations as well as the dynamic Monte Carlo simulations.•DFT calculations…”
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Multi-QSAR approaches for investigating the relationship between chemical structure descriptors of Thiadiazole derivatives and their corrosion inhibition performance by Sadik, Karima, Byadi, Said, Hachim, Mouhi Eddine, Hamdani, Naoual El, Podlipnik, Črtomir, Aboulmouhajir, Aziz

“…•QSAR models were developed to evaluate the anticorrosion activity of a series of 24 thiadiazole derivatives.•A wide variety of classical as well as binary…”
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Newly synthesized (R)-carvone-derived 1,2,3-triazoles: structural, mechanistic, cytotoxic and molecular docking studies by Hachim, Mouhi Eddine, Oubella, Ali, Byadi, Said, Fawzi, Mourad, Laamari, Yassine, Bahsis, Lahoucine, Aboulmouhajir, Aziz, Morjani, Hamid, Podlipnik, Črtomir, Auhmani, Aziz, Ait Itto, My Youssef

“…In the current study, natural (R)-carvone was used as starting material for the efficient synthesis of several 1,2,3-triazole derivatives. The produced…”
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Synthesis, characterization, DFT calculations, antimicrobial activity, molecular docking, and ADMET study of new pyrazole-carboxamide derivatives by Roby, Othmane, Kadiri, Fatima Zahra, Moutaouakil, Mohamed, Ousaid, Fatima Ez-zahra, Saddik, Rafik, Aboulmouhajir, Aziz, Alzahrani, Abdullah Yahya, Tighadouini, Said

“…In this study,•Efficient synthesis of novel pyrazole-carboxamide derivatives by a one-pot synthesis.•The results showed that compounds R5, R11, and R13…”
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Synthesis, characterization and theoretical studies of hexahydroquinoline derivatives using nano pyrophosphate as an effective renewable catalyst by Loukhmi, Zineb, Elmakssoudi, Abdelhakim, Thoume, Abderrahmane, Achagar, Redouane, Roby, Othmane, Dahib, Zineb, Elhamdani, Naoual, Dakir, Mohamed, Eddine, Jamal Jamal, Zahouily, Mohamed, Aboulmouhajir, Aziz

“…This study aims to optimize the conditions and yield of the quinoline synthesis using an environmentally friendly, heterogeneous, non-toxic, and recyclable…”
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Synthesis, experimental, theoretical, and molecular dynamic studies of 1-(2,5-dimethoxy-4-methylphenyl)ethan-1-thiosemicarbazone as green inhibitor for carbon steel corrosion by Elqars, Esseddik, Laamari, Yassine, Sadik, Karima, Bimoussa, Abdoullah, Oubella, Ali, Mechnou, Issam, Auhmani, Aziz, Taha, Mohamed Labd, Essadki, Abdelhafid, Aboulmouhajir, Aziz, Itto, My Youssef Ait, Nbigui, Taibi

“…•Synthesis and spectroscopic characterizations of new 1-(2,5-dimethoxy-4-methylphenyl)ethan-1-thiosemicarbazone molecules.•With an optimal dose (1.5 mM) the…”
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In silico discovery of novel inhibitors from Northern African natural products database against main protease (Mpro) of SARS-CoV-2 by Byadi, Said, Oblak, Domen, Kassmi, Yassine, Sadik, Karima, Hachim, Mouhi Eddine, Podlipnik, Črtomir, Aboulmouhajir, Aziz

“…The recent outbreak of COVID-19 (Coronavirus Disease 2019), caused by a novel SARS-CoV-2 virus, has led to public health emergencies worldwide where time is as…”
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Selective synthesis of novel quinolones-amino esters as potential antibacterial and antifungal agents: Experimental, mechanistic study, docking and molecular dynamic simulations by Moussaoui, Oussama, Byadi, Said, Eddine Hachim, Mouhi, Sghyar, Riham, Bahsis, Lahoucine, Moslova, Karina, Aboulmouhajir, Aziz, Rodi, Youssef Kandri, Podlipnik, Črtomir, Hadrami, El Mestafa EL, Chakroune, Said

“…•Synthesis and design of new heterocyclic compounds based on quinolones-L-alaninate.•The chemical structure of the prepared compounds was confirmed by NMR…”
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Unveiling the potential of Satureja calamintha nepeta : A study on its phytochemical composition and antibacterial activity by Hayani, Mouhcine, Benabbouha, Tariq, Nachit, Wafaa, Byadi, Said, Chefira, Khalil, Aboulmouhajir, Aziz, Tounsi, Abdessamad, Zair, Touriya

“…Abstract Satureja calamintha nepeta is a plant native to northwestern Morocco. The purpose of this investigation is to identify the chemical composition and…”
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Discovery of a new Bcl-2 inhibitor through synthesis, anticancer activity, docking and MD simulations by Byadi, Said, Abdoullah, Bimoussa, Fawzi, Mourad, Irrou, Ezaddine, Ait Elmachkouri, Younesse, Oubella, Ali, Auhmani, Aziz, Morjani, Hamid, Labd Taha, Mohamed, Robert, Anthony, Aboulmouhajir, Aziz, Ait Itto, Moulay Youssef

“…A database of 300 compounds was virtually screened and docked against Bcl-2 protein; the stability of the best-formed complex was evaluated through Molecular…”
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