Potential SARS-CoV-2 RdRp inhibitors of cytidine derivatives: Molecular docking, molecular dynamic simulations, ADMET, and POM analyses for the identification of pharmacophore sites
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
Published in PloS one (28.11.2022)
Published in PloS one (28.11.2022)
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Efficient Antibacterial/Antifungal Activities: Synthesis, Molecular Docking, Molecular Dynamics, Pharmacokinetic, and Binding Free Energy of Galactopyranoside Derivatives
Ahmmed, Faez, Islam, Anis Ul, Mukhrish, Yousef E, Bakri, Youness El, Ahmad, Sajjad, Ozeki, Yasuhiro, Kawsar, Sarkar M A
Published in Molecules (Basel, Switzerland) (26.12.2022)
Published in Molecules (Basel, Switzerland) (26.12.2022)
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Establishing the Role of Iridoids as Potential Kirsten Rat Sarcoma Viral Oncogene Homolog G12C Inhibitors Using Molecular Docking; Molecular Docking Simulation; Molecular Mechanics Poisson-Boltzmann Surface Area; Frontier Molecular Orbital Theory; Molecular Electrostatic Potential; and Absorption, Distribution, Metabolism, Excretion, and Toxicity Analysis
Alamri, Mubarak A, Alawam, Abdullah S, Alshahrani, Mohammed Merae, Kawsar, Sarkar M A, Prinsa, Saha, Supriyo
Published in Molecules (Basel, Switzerland) (28.06.2023)
Published in Molecules (Basel, Switzerland) (28.06.2023)
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Exploring Cinnamoyl-Substituted Mannopyranosides: Synthesis, Evaluation of Antimicrobial Properties, and Molecular Docking Studies Targeting H5N1 Influenza A Virus
Akter, Sabina, Alhatlani, Bader Y, Abdallah, Emad M, Saha, Supriyo, Ferdous, Jannatul, Hossain, Md Emdad, Ali, Ferdausi, Kawsar, Sarkar M A
Published in Molecules (Basel, Switzerland) (01.12.2023)
Published in Molecules (Basel, Switzerland) (01.12.2023)
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Methyl β-D-galactopyranoside esters as potential inhibitors for SARS-CoV-2 protease enzyme: synthesis, antimicrobial, PASS, molecular docking, molecular dynamics simulations and quantum computations
Amin, Md R., Yasmin, Farhana, Dey, Sujan, Mahmud, Shafi, Saleh, Md A., Emran, Talha B., Hasan, Imtiaj, Rajia, Sultana, Ogawa, Yukiko, Fujii, Yuki, Yamada, Masao, Ozeki, Yasuhiro, Kawsar, Sarkar M. A.
Published in Glycoconjugate journal (01.04.2022)
Published in Glycoconjugate journal (01.04.2022)
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Marine-Derived Compounds as Potential Inhibitors of Hsp90 for Anticancer and Antimicrobial Drug Development: A Comprehensive In Silico Study
Ouassaf, Mebarka, Bourougaa, Lotfi, Al-Mijalli, Samiah Hamad, Abdallah, Emad M, Bhat, Ajmal R, A Kawsar, Sarkar M
Published in Molecules (Basel, Switzerland) (01.12.2023)
Published in Molecules (Basel, Switzerland) (01.12.2023)
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Pharmacoinformatics and Breed-Based De Novo Hybridization Studies to Develop New Neuraminidase Inhibitors as Potential Anti-Influenza Agents
Lotfi, Bourougaa, Mebarka, Ouassaf, Alhatlani, Bader Y, Abdallah, Emad M, Kawsar, Sarkar M. A
Published in Molecules (Basel, Switzerland) (01.09.2023)
Published in Molecules (Basel, Switzerland) (01.09.2023)
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In Silico Pharmacokinetics, Molecular Docking and Molecular Dynamics Simulation Studies of Nucleoside Analogs for Drug Discovery- A Mini Review
Kawsar, Sarkar M A, Munia, Nasrin S, Saha, Supriyo, Ozeki, Yasuhiro
Published in Mini reviews in medicinal chemistry (01.01.2024)
Published in Mini reviews in medicinal chemistry (01.01.2024)
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Synthesis, antimicrobial, anticancer activities, PASS prediction, molecular docking, molecular dynamics and pharmacokinetic studies of designed methyl α-D-glucopyranoside esters
Islam, Sajia, Hosen, Mohammed A., Ahmad, Sajjad, ul Qamar, Muhammad T., Dey, Sujan, Hasan, Imtiaj, Fujii, Yuki, Ozeki, Yasuhiro, Kawsar, Sarkar M.A.
Published in Journal of molecular structure (15.07.2022)
Published in Journal of molecular structure (15.07.2022)
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Synthesis, antimicrobial, molecular docking and molecular dynamics studies of lauroyl thymidine analogs against SARS-CoV-2: POM study and identification of the pharmacophore sites
Anowar Hosen, Mohammed, Sultana Munia, Nasrin, Al-Ghorbani, Mohammed, Baashen, Mohammed, Almalki, Faisal A., Ben Hadda, Taibi, Ali, Ferdausi, Mahmud, Shafi, Abu Saleh, Md, Laaroussi, Hamid, Kawsar, Sarkar M.A.
Published in Bioorganic chemistry (01.08.2022)
Published in Bioorganic chemistry (01.08.2022)
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Diverse Localization Patterns of an R-Type Lectin in Marine Annelids
Kawsar, Sarkar M. Abe, Hasan, Imtiaj, Rajia, Sultana, Koide, Yasuhiro, Fujii, Yuki, Hayashi, Ryuhei, Yamada, Masao, Ozeki, Yasuhiro
Published in Molecules (Basel, Switzerland) (07.08.2021)
Published in Molecules (Basel, Switzerland) (07.08.2021)
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cDNA and Gene Structure of MytiLec-1, A Bacteriostatic R-Type Lectin from the Mediterranean Mussel (Mytilus galloprovincialis)
Hasan, Imtiaj, Gerdol, Marco, Fujii, Yuki, Rajia, Sultana, Koide, Yasuhiro, Yamamoto, Daiki, Kawsar, Sarkar M A, Ozeki, Yasuhiro
Published in Marine drugs (11.05.2016)
Published in Marine drugs (11.05.2016)
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In vitro and in vivo evaluation of the antimicrobial, antioxidant, cytotoxic, hemolytic activities and in silico POM/DFT/DNA-binding and pharmacokinetic analyses of new sulfonamide bearing thiazolidin-4-ones
Hassan, Sangar Ali, Aziz, Dara Muhammed, Abdullah, Media Noori, Bhat, Ajmal R., Dongre, Rajendra S., Hadda, Taibi Ben, Almalki, Faisal A., Kawsar, Sarkar M. A., Rahiman, Aziz Kalilur, Ahmed, Sumeer, Abdellattif, Magda H., Berredjem, Malika, Sheikh, S. A., Jamalis, Joazaizulfazli
Published in Journal of biomolecular structure & dynamics (02.05.2024)
Published in Journal of biomolecular structure & dynamics (02.05.2024)
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Design, Synthesis, In Silico and POM Studies for the Identification of the Pharmacophore Sites of Benzylidene Derivatives
Hosen, Mohammad I, Mukhrish, Yousef E, Jawhari, Ahmed Hussain, Celik, Ismail, Erol, Meryem, Abdallah, Emad M, Al-Ghorbani, Mohammed, Baashen, Mohammed, Almalki, Faisal A, Laaroussi, Hamid, Hadda, Taibi Ben, Kawsar, Sarkar M A
Published in Molecules (Basel, Switzerland) (13.03.2023)
Published in Molecules (Basel, Switzerland) (13.03.2023)
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A computational investigation of galactopyranoside esters as antimicrobial agents through antiviral, molecular docking, molecular dynamics, pharmacokinetics, and bioactivity prediction
Hosen, Mohammed A., El Bakri, Youness, Rehman, Hafiz Muzzammel, Hashem, Heba E., Saki, Morteza, Kawsar, Sarkar M. A.
Published in Journal of biomolecular structure & dynamics (22.01.2024)
Published in Journal of biomolecular structure & dynamics (22.01.2024)
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Recent Progress in Synthesis, POM Analyses and SAR of Coumarin-Hybrids as Potential Anti-HIV Agents—A Mini Review
Suleiman, Mustapha, Almalki, Faisal A, Ben Hadda, Taibi, Kawsar, Sarkar M. A, Chander, Subhash, Murugesan, Sankaranarayanan, Bhat, Ajmal R, Bogoyavlenskiy, Andrey, Jamalis, Joazaizulfazli
Published in Pharmaceuticals (Basel, Switzerland) (01.10.2023)
Published in Pharmaceuticals (Basel, Switzerland) (01.10.2023)
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In silico evaluation of molecular interactions between macrocyclic inhibitors with the HCV NS3 protease. Docking and identification of antiviral pharmacophore site
Lafridi, Hind, Almalki, Faisal A., Ben Hadda, Taibi, Berredjem, Malika, Kawsar, Sarkar M. A., Alqahtani, Ali M., Esharkawy, Eman R., Lakhrissi, Brahim, Zgou, Hsaine
Published in Journal of biomolecular structure & dynamics (13.04.2023)
Published in Journal of biomolecular structure & dynamics (13.04.2023)
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