Synthesis of piperazine-based benzimidazole derivatives as potent urease inhibitors and molecular docking studies by Delaram Shahriarynejad, Navid Dastyafteh, Fouzia Naz, Meysam Talebi, Sajedeh Safapoor, Seyedeh Niloufar Ghafouri, Homa Azizian, Maryam Mohammadi-Khanaposhtani, Bagher Larijani, Mehdi Asadi, Massoud Amanlou, Mohammad Mahdavi, Khalid Mohammed Khan

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Theoretical evaluation of pectin therapeutic potential in relation to degree of methylation by Martinov Nestorov Jelena B., Janjić Goran V., Petković Benazzouz Marija M.

Subjects: “…docking study…”
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New spirooxindole-thiazolidine derivatives as antiseizure agents: Biological evaluation and computational studies by Leila Emami, Leila Moezi, Pegah Mardaneh, Sara Sadeghian, Elaheh Ataollahi, Masoumeh Divar, Sahar Zarei, Saeed Agah, Razieh Sabet, Soghra Khabnadideh

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Crotalaria madurensis flavonol glycosides’ antibacterial activity against Staphylococcus aureus by Hala Sh. Mohammed, Salwa A. Abu El Wafa, Mona H. Ibrahim, Rasha Mohammad Fathy, Noha A. Seif-Eldein

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In vivo and in silico study of europinidin against streptozotocin-isoproterenol-induced myocardial damage via alteration of hs-CRP/CPK-MB/Caspase-3/Bcl-2 pathways by Khalid Saad Alharbi, Muhammad Afzal, Fahad A. Al-Abbasi, Ehssan Moglad, Salwa D. Al-Qahtani, Naif A. R. Almalki, Faisal Imam, Nadeem Sayyed, Imran Kazmi

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L‐quebrachitol Modulates the Anti‐convulsant Effects of Carbamazepine Possibly Through Voltage‐gated Sodium Channel Blocking Mechanism in Chicks: In Vivo and In Silico Studies... by Asifa Asrafi, Mohammad Aslam, Ali G. Alkhathami, Md. Sakib Hossain, Imam Hossen Rakib, Md. Sakib Al Hasan, Feroz Khan Nun, Md. Faisal Amin, Muhammad Torequl Islam

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Antiviral Activity of Rhamnolipids Nano-Micelles Against Rhinoviruses—In Silico Docking, Molecular Dynamic Analysis and In-Vitro Studies by Lila Touabi, Nasser S. M. Ismail, Marwa R. Bakkar, Gary R. McLean, Yasmin Abo-zeid

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In-vitro Antioxidant and Anticancer Studies of Date Palm (Phoenix dactylifera L.) Seed Extract and Its Oil on Seven Cell Lines with Molecular Docking Study Targeting PI3K and EGFR... by Amina El-Shaibany, Gehad M. Elnagar, Ali E. Raslan, Ahmed S. Abdelkhalek, Naif A. Al-Gabri, Mahmoud M. Elaasser, Nesreen M. I. M. Elkomy

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Design, synthesis and molecular modeling study of substituted indoline-2-ones and spiro[indole-heterocycles] with potential activity against Gram-positive bacteria by Radwan Awwad Abdoh, Aanazi Fares Kaed, Al-Agamy Mohammed, Mahrous Gamal Mohammad

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Design, synthesis and molecular modeling of isatin-aminobenzoic acid hybrids as antibacterial and antibiofilm agents by Awwad A. Radwan, Fares K. Al-Anazi, Mohammed Al-Agamy, Adel F. Alghaith, Gamal M. Mahrous, Mohammad R. Alhuzani, Abdulrhman S.A. Alghamdi

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In vitro investigation of xanthine oxidase inhibitory and antioxidant activities of 3,4,5-trihydroxycinnamic acid by Taweesak Dhammaraj, Phoobet Kotseekieo, Tunnathon Chotikarn, Narumol Phosrithong, Wattanakarn Praison, Tossapol Prasomsub, Panupong Lumthong, Warangrat Supaporn, Bunleu Sungthong, Chawannuch Mudjupa, Pawitra Pulbutr

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Coumarin derivatives as potential anticancer agents: Synthesis, antiproliferative activity, apoptosis, and molecular docking studies by Mahsa Toolabi, Alireza Basiri, Farhad Dorostkar Yaghouti, Mehdi Safdarian, Adileh Ayati, Ayyub Mojaddami

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Design, Synthesis, and Evaluation of EA-Sulfonamides and Indazole-Sulfonamides as Promising Anticancer Agents: Molecular Docking, ADME Prediction, and Molecular Dynamics Simulation... by Nassima Saghdani, Nabil El Brahmi, Abdelmoula El Abbouchi, Rachid Haloui, Souad Elkhattabi, Gérald Guillaumet, Saïd El Kazzouli

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Exploring Chalcone Derivatives as a Multifunctional Therapeutic Agent: Investigating Antioxidant Potential, Acetylcholinesterase Inhibition and Computational Insights by Sujatha M. Lokanath, Manjunatha S. Katagi, Girish S. Bolakatti, Johnson Samuel, Belakatte P. Nandeshwarappa

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A novel avenue in the successful synthesis of Schiff base macromolecules via innovative plasma and classical approaches by Rawda M. Okasha, Abdel-Aleam H. Mohamed, Ahmed A. Elhenawy, Mosa H. Alsehli, Wael H. Alsaedi, Fawzia F. Alblewi, Eman A. Assirey, Majed O. Alawad, Faizah S. Aljohani, Zainab Hrytani, Israa Ibrahim, Tarek H. Afifi

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Exploring corrosion behavior, antimicrobial evaluation, molecular docking and DFT calculation of thiosemicarbazone ligand and its metal complexes by Howida S. Mandour, Lobna A. Khorshed, Amr M. Abdou, Basma Ghazal

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Evaluation of cytotoxic potential of Callistemon leaf extracts against breast and colon cancer: Metabolomic, flow cytometry and in silico studies by Amira Y. Eissa, Kamilia F. Taha, Abeer A. Dahab, Usama R. Abdelmohsen, Khayrya A. Youssif, Mona H. Ibrahim, Seham S. El-Hawary, Manal M. Sabry

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In-silico and In-vitro Evaluation of Acetylcholinesterase Activity of Methanolic Extract of Vitex negundo by S Shobana Devi, D Anusha, K Karthika, Kavitha Ramasamy

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Evaluation of COVID-19 protease and HIV inhibitors interactions by Tran Linh, Tam Dao Ngoc Hien, Elhadad Heba, Hien Nguyen Minh, Huy Nguyen Tien

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Synthesis, structural characterization, in vitro biological evaluation and in silico molecular docking of some new 1,2,3-Benzotriazole-based Schiff base derivatives by Shawkat Hayat, Mohamed S. Othman, Hayat Ullah, Amina Qureshi, Fazal Rahim, Sadiqa Begum, Mohsan Nawaz, Abdul Wadood, Amal H. Al-Bagawi, Ahmed M. Aref, Mohamed A. Fareid, Rashid Iqbal

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