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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Chemical Profiling Ethyl Acetate Extract of <i>Basilicum polystachyon</i> Leaves and Exploration of Anticancer SIRT1 Inhibitors Using <i>In Silico</i> Approach by Tukiran Tukiran, Muhammad Raihan

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Computational studies of some benzothiazinone-pepirazine derivatives and lipase b inhibitor for mycobacterium tuberculosis by Yakubu Ya'u Muhammad, Adamu Uzairu

Subjects: “…Molecular docking…”
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Identification and molecular mechanism of angiotensin-converting enzyme inhibitory peptides from Larimichthys crocea titin by Yue Fan, Zhipeng Yu, Wenzhu Zhao, Long Ding, Fuping Zheng, Jianrong Li, Jingbo Liu

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Structural and Functional Annotation of Hypothetical Proteins of O139 by Md. Saiful Islam, Shah Md. Shahik, Md. Sohel, Noman I. A. Patwary, Md. Anayet Hasan

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Flunarizine as a Candidate for Drug Repurposing Against Human Pathogenic Mammarenaviruses by Chukwudi A. Ofodile, Ikemefuna C. Uzochukwu, Fortunatus C. Ezebuo, InnocentMary Ejiofor, Mercy Adebola, Innocent Okpoli, Beatrice Cubitt, Haydar Witwit, Chetachi B. Okwuanaso, Ngozi Onyemelukwe, Juan Carlos de la Torre

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Fragment optimized chalcone derivatives targeting OmpA protein as a therapeutic approach against multidrug resistant Acinetobacter baumannii by Muhammad Naveed, Amina Abid, Tariq Aziz, Ayesha Saleem, Arooj Arshad, Khushbakht Javed, Hafiz Muzzammel Rehman, Ghulam Nabi, Mitub Al-harbi, Abdullah F. Alasmari

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Comprehensive multispectral and computational study of isoxazolidine derivative ‘ISoXD3’: Synthesis, spectral characteristics, DNA binding, and comparative effects of allyl and pro... by Ibrahim A. Alhagri, Siwar Ghannay, Norah A. Al-Suwailem, Rania Hussien Al-Ashwal, Sadeq M. AlHazmy, Sabri Messaoudi, Kaiss Aouadi

Subjects: “…Molecular docking simulation…”
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Molecular Characterization of Legionellosis Drug Target Candidate Enzyme Phosphoglucosamine Mutase from (strain Paris): An Approach by Anayet Hasan, Habibul Hasan Mazumder, Arif Khan, Mohammad Uzzal Hossain, Homaun Kabir Chowdhury

Subjects: “…docking analysis…”
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Understanding Rifampicin Resistance in Tuberculosis through a Computational Approach by Satish Kumar, Lingaraja Jena

Subjects: “…docking analyses…”
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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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Anti-melanogenic effects of hydroxyethyl chrysin through the inhibition of tyrosinase activity: In vitro and in silico approaches by Yuna Lee, Ha-Yeon Song, Eui-Baek Byun

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Immunomodulatory effect of ethanol-soluble oligopeptides from Atlantic cod (Gadus morhua) by Zhen Yuan, Meilian Yang, Dongyang Zhu, Di Wu, Shuzhen Cheng, Chao Wu, Hesham R. El-Seedi, Ming Du

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Antistaphylococcal Triazole-Based Molecular Hybrids: Design, Synthesis and Activity by Kostiantyn Shabelnyk, Alina Fominichenko, Oleksii Antypenko, Olexandr Gaponov, Svitlana Koptieva, Svitlana Shyshkina, Oleksii Voskoboinik, Sergiy Okovytyy, Serhii Kovalenko, Valentyn Oksenych, Oleksandr Kamyshnyi

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Plant Compounds Inhibit the Growth of W12 Cervical Precancer Cells Containing Episomal or Integrant HPV DNA; Tanshinone IIA Synergizes with Curcumin in Cervical Cancer Cells by Linda Saxe Einbond, Jing Zhou, Kunhui Huang, Mario R. Castellanos, Emeka Mbazor, Michael Balick, Hongbao Ma, James A. DeVoti, Stephen Redenti, Hsan-au Wu

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Integrative bioinformatic approach reveals novel melatonin-related biomarkers for Alzheimer’s disease by Hua-xiong Zhang, Dilmurat Hamit, Qing Li, Xiao Hu, San-feng Li, Fu Xu, Ming-yuan Wang, Guo-qing Bao, Hong-yan Li

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Zvezda Shipyard Project: Global Implications and Its Influence on the Russian Economy by I. I. Sechin

Subjects: “…russia, rosneft, arctic, northern sea route (nsr), vostok oil, zvezda shipyard, economy, infrastructure, oil, capital expenditures, multiplicative effects, cargo shipping, icebreaker fleet, dry dock…”
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Phthalazine based hydrazone as potent radical scavenger: Synthesis, spectral characterization, single crystal X-ray diffraction, DFT studies, molecular docking, ADME, antioxidant and antimicrobial activity of (E)-1-(2-substitutedbenzylidene)phthalazine derivatives by Surya Uthrapathy, Balasankar Thirunavukkarasu, Kodisundaram Paulrasu, Tanzeer Ahmad Dar, Manikandan Palrasu, Morris Princey, Krishnapriya Thangaretnam, Vinoth Murali

“…Theoretical bond parameters obtained via DFT analysis closely match the experimental data, further validating the confirmation of the synthesized compound. Molecular docking studies conducted with AutoDock 4.0, revealed docking scores from −4.87 to −7.62 kcal/mol when interacting with cytochrome C peroxidase (2X08) and E.coli reductase (1YLU) proteins highlighting potential bioactive interactions. …”
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Structural tailoring of etoricoxib: A spectrochemical, medicinal and pharmacological study by Bakul Akter, Silvia Aishee, Abdullah Hridoy, Md. Mehedi Hasan Pulok, Mohammad Ariful Islam, Antu Biswas, Aurna Patwary, Majedul Hoque, MD. Sazidul Islam, Md. Nipatul Hasan Nirob, Faisal Islam Chowdhury, Monir Uzzaman

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Exploring target selectivity in designing and identifying PI3Kα inhibitors for triple negative breast cancer with fragment-based and bioisosteric replacement approach by Debojyoti Halder, Shreya Mukherjee, R. S. Jeyaprakash

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