Potential SARS-CoV-2 RdRp inhibitors of cytidine derivatives: Molecular docking, molecular dynamic simulations, ADMET, and POM analyses for the identification of pharmacophore site... von M A Kawsar, Sarkar, Hosen, Mohammed A, Ahmad, Sajjad, El Bakri, Youness, Laaroussi, Hamid, Ben Hadda, Taibi, Almalki, Faisal A, Ozeki, Yasuhiro, Goumri-Said, Souraya

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DFT and molecular simulation validation of the binding activity of PDEδ inhibitors for repression of oncogenic k-Ras von 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

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Design and synthesis of multi-functional small-molecule based inhibitors of amyloid-β aggregation: Molecular modeling and in vitro evaluation von Radwan, Awwad A, Alanazi, Fars K, Raish, Mohammad

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Taguchi orthogonal design assisted immobilization of Candida rugosa lipase onto nanocellulose-silica reinforced polyethersulfone membrane: physicochemical characterization and oper... von Elias, Nursyafiqah, Wahab, Roswanira Abdul, Jye, Lau Woei, Mahat, Naji Arafat, Chandren, Sheela, Jamalis, Joazaizulfazli

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In-silico Investigations of quinine and quinidine as potential Inhibitors of AKR1B1 and AKR1B10: Functional and structural characterization von Ejaz, Syeda Abida, Saeed, Amna, Birmani, Pervez Rashid, Katubi, Khadijah Mohammedsalaeh, Elqahtani, Zainab Mufarreh, Al-Buriahi, M. S, Ujan, Rabail, Siddique, Farhan, Ahmed, Samia ben, Alrowaili, Z. A

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Molecular insights into the inhibitory potential of anthocyanidins on glucokinase regulatory protein von Kenneth, Christian, Anugrah, Daru Seto Bagus, Julianus, Jeffry, Junedi, Sendy

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In silico discovery of multi-targeting inhibitors for the COVID-19 treatment by molecular docking, molecular dynamics simulation studies, and ADMET predictions von Hasan, Aso Hameed, Hussen, Narmin Hamaamin, Shakya, Sonam, Jamalis, Joazaizulfazli, Pratama, Mohammad Rizki Fadhil, Chander, Subhash, Kharkwal, Harsha, Murugesan, Sankaranarayanan

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One-pot synthesis, molecular docking, ADMET, and DFT studies of novel pyrazolines as promising SARS-CoV-2 main protease inhibitors von Salih, Rezan Huseen Hama, Hasan, Aso Hameed, Hussein, Awaz Jamil, Samad, Mohammed Kareem, Shakya, Sonam, Jamalis, Joazaizulfazli, Hawaiz, Farouq Emam, Pratama, Mohammad Rizki Fadhil

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Computer Analysis of the Inhibition of ACE2 by Flavonoids and Identification of Their Potential Antiviral Pharmacophore Site von Bogoyavlenskiy, Andrey, Alexyuk, Madina, Alexyuk, Pavel, Berezin, Vladimir, Almalki, Faisal A, Ben Hadda, Taibi, Alqahtani, Alaa M, Ahmed, Saleh A, Dall'Acqua, Stefano, Jamalis, Joazaizulfazli

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Novel pyrazoline-thiazole hybrids containing azo group as antibacterial agents: design, synthesis, in vitro bioactivity, in silico molecular docking, ADME profile and DFT studies von Hussein, Hawzheen Yassin, Hasan, Aso Hameed, Hussein, Awaz Jamil, Ayoob, Mzgin Mohammed, Samad, Mohammed Kareem, Hussen, Narmin Hamaamin, Hawaiz, Farouq Emam, Shakya, Sonam, Muzaffar, Sughra, Jamalis, Joazaizulfazli

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Simple adsorption of Candida rugosa lipase onto multi-walled carbon nanotubes for sustainable production of the flavor ester geranyl propionate von Mohamad, NurRoyhaila, Buang, Nor Aziah, Mahat, Naji A., Jamalis, Joazaizulfazli, Huyop, Fahrul, Aboul-Enein, Hassan Y., Wahab, Roswanira Abdul

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Recent Progress in Synthesis, POM Analyses and SAR of Coumarin-Hybrids as Potential Anti-HIV Agents—A Mini Review von Suleiman, Mustapha, Almalki, Faisal A, Ben Hadda, Taibi, Kawsar, Sarkar M. A, Chander, Subhash, Murugesan, Sankaranarayanan, Bhat, Ajmal R, Bogoyavlenskiy, Andrey, Jamalis, Joazaizulfazli

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Carbon Dot Based Carbon Nanoparticles as Potent Antimicrobial, Antiviral, and Anticancer Agents von Hussen, Narmin Hamaamin, Hasan, Aso Hameed, FaqiKhedr, Yar Muhammed, Bogoyavlenskiy, Andrey, Bhat, Ajmal R., Jamalis, Joazaizulfazli

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Discovery of Novel Coumarin-Schiff Base Hybrids as Potential Acetylcholinesterase Inhibitors: Design, Synthesis, Enzyme Inhibition, and Computational Studies von 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

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Galactoside-Based Molecule Enhanced Antimicrobial Activity through Acyl Moiety Incorporation: Synthesis and In Silico Exploration for Therapeutic Target von Ahmmed, Faez, Al-Mijalli, Samiah Hamad, Abdallah, Emad M, Eissa, Ibrahim H, Ali, Ferdausi, Bhat, Ajmal R, Jamalis, Joazaizulfazli, Ben Hadda, Taibi, Kawsar, Sarkar M A

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Benzyloxychalcone Hybrids as Prospective Acetylcholinesterase Inhibitors against Alzheimer’s Disease: Rational Design, Synthesis, In Silico ADMET Prediction, QSAR, Molecular Dockin... von Al-Maqtari, Helmi Mohammed, Hasan, Aso Hameed, Suleiman, Mustapha, Ahmad Zahidi, Muhammad Asraf, Noamaan, Mahmoud A., Alexyuk, Pavel, Alexyuk, Madina, Bogoyavlenskiy, Andrey, Jamalis, Joazaizulfazli

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Naturally Occurring Isorhamnetin Glycosides as Potential Agents Against Influenza Viruses: Antiviral and Molecular Docking Studies von Bogoyavlenskiy, Andrey, Zaitseva, Irina, Alexyuk, Pavel, Alexyuk, Madina, Omirtaeva, Elmira, Manakbayeva, Adolat, Moldakhanov, Yergali, Anarkulova, Elmira, Imangazy, Anar, Berezin, Vladimir, Korulkin, Dmitry, Hasan, Aso Hameed, Noamaan, Mahmoud, Jamalis, Joazaizulfazli

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Silyl Migrations in d‑Xylose Derivatives: Total Synthesis of a Marine Quinoline Alkaloid von Phanumartwiwath, Anuchit, Hornsby, Thomas W, Jamalis, Joazaizulfazli, Bailey, Christopher D, Willis, Christine L

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Synthesis, characterization, structural elucidation and Hirshfeld surface analysis of (E)-3-(3-methylthiophen-2-yl)-1-(pyrazin-2-yl)prop-2-en-1-one von Shivalingegowda, Naveen, Ming, Liew Suk, Jamalis, Joazaizulfazli, Kumar, Channapillekoppal Siddegowda Ananda, Lokanath, Neratur Krishnappagowda

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Characterization, optimization and stability studies on Candida rugosa lipase supported on nanocellulose reinforced chitosan prepared from oil palm biomass von Elias, Nursyafiqah, Chandren, Sheela, Razak, Fazira Ilyana Abdul, Jamalis, Joazaizulfazli, Widodo, Nashi, Wahab, Roswanira Abdul

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