Anti-allergic potentials of Ceriops decandra leaves in TDI-induced allergic mice: Comprehensive in-vivo and in-silico studies by Aishwarja Dey, Subarna Rani, Rabindra Nath Acharyya, Apurba Kumar Barman, Khondoker Shahin Ahmed, Nripendra Nath Biswas, Shrabanti Dev, Asish Kumar Das

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Synthesis and evaluation of nitrochromene derivatives as potential antileishmanial therapeutics through biological and computational studies by Niloofar Javid, Ali Asadipour, Ehsan Salarkia, Mohammad Amin Langarizadeh, Fatemeh Sharifi, Mohammad Mahdavi, Bagher Amirheidari, Aida Iraji, Hojjat Rezaiezadeh, Gholamreza Hassanpour, Yaghoub Pourshojaei

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Bridging Molecular Docking to Molecular Dynamics to Enlighten Recognition Processes of Tailored D-A/D-A-D Types' AIEgens with HSA/BSA by Harun Nalçakan, Gülbin Kurtay

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Anticancer activity of Ilex khasiana, a rare and endemic species of holly in Northeast India, against murine lymphoma by Charles Lalnunfela, Pawi Bawitlung Lalthanpuii, Hmar Tlawmte Lalremsanga, Zothansiama, Chhaihlo Lalmuansangi, Mary Zosangzuali, Nachimuthu Senthil Kumar, Tochhawng Lalhriatpuii, Kholhring Lalchhandama

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Effects of Baicalin on Gout Based on Network Pharmacology, Molecular Docking, and in vitro Experiments by Liu C, Liu W, Lu H, Fan Y, Wang A

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Antiangiogenic potential of Elaeagnus umbellata extracts and molecular docking study by targeting VEGFR-2 pathway by Nazir Nausheen, Waqar Arbaz, Zaib Khan Amir, Ali Khan Ayaz, Aziz Tariq, Alasmari Abdullah F.

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Synthesis, Characterization, Molecular Docking, and In Silico ADME Study for Some New Different Derivatives for Succiniohydrazide by Asmaa A. Maryoosh, Oday H. R. Al-Jeilawi

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Evaluation of phytochemical composition, antioxidant, cytotoxic and in silico studies of ethyl acetate fractions of Tristaniopsis merguensis leaves by Boima Situmeang, Respati Tri Swasono, Tri Joko Raharjo

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Bio-active composition, antibacterial activity and molecular docking studies of Salicia nitida (Benth.) root extracts by Wisdom U. Ike, Okereke C. Stanley, Nosiri Ijeoma, Okamgba C. Okezie, Nwokocha W. Osita, Aguwanba Chinedu, Aaron C. Friday

Subjects: “…molecular docking…”
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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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Exploring the antiviral potential of shikimic acid against Chikungunya virus through network pharmacology, molecular docking, and in vitro experiments by Jialiang Xin, Xingxing Song, Haohong Zheng, Wenjing Li, Yuyang Qin, Wei Wang, Wei Wang, He Zhang, Guangneng Peng

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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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Virtual screening, molecular docking and identification of umami peptides derived from Oncorhynchus mykiss by Wenzhu Zhao, Lijun Su, Shitong Huo, Zhipeng Yu, Jianrong Li, Jingbo Liu

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Identification of Suitable Natural Inhibitor against Influenza A (H1N1) Neuraminidase Protein by Molecular Docking by Maheswata Sahoo, Lingaraja Jena, Surya Narayan Rath, Satish Kumar

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Elucidating Molecular Interactions of Natural Inhibitors with HPV-16 E6 Oncoprotein through Docking Analysis by Satish Kumar, Lingaraja Jena, Sneha Galande, Sangeeta Daf, Kanchan Mohod, Ashok K. Varma

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Exploring the anticancer potential of Hewittia malabarica through phytochemical analysis and molecular docking study by Shiji Thozhukkad Moosaripparambil, Kannan Vadakkadath Meethal

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Elucidating the mechanism of phthalates induced osteoporosis through network toxicology and molecular docking by Xiao Zhang, Xi Zhu, Wenbo Gu, Xusheng Li, Tenyao Niu, Pengcheng Mao, Haifeng Yuan

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