Molecular insights into the structural, spectroscopic, chemical shift characteristics, and molecular docking analysis of the carbamate insecticide fenobucarb by K. KrishnaKumar, M. Jenifer, T.J. Nandhini, M. Sridharan, G. Sabarinathan, Pallavi M. Shanthappa

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In-Silico Evaluation of Binding Interaction and ADME Properties of Novel Pyrazoline and Pyrimidine Derivatives Targeting Cyclooxygenase-2 Enzyme by Sarmad Abbas Fadhil, Karima Fadhil Ali, Wesen Adel Mehde

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Novel tetracycline hybrids: synthesis, characterization, docking studies and in-vitro evaluation of antibacterial activity by Mansi Shah, Bhanubhai Suhagia, Sunita Goswami, Sneha Sagar, Arpit Patwari

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Cybertoxicology, molecular docking, and experimental verification reveal the mechanism of action of chlorpyrifos on skin damage by Weibin Du, Wenxiang Zeng, Zhenwei Wang, Huahui Hu, Hongfeng Ruan, Gang Qu

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Computational Evaluation of Tridax Procumbens Phytoconstituents in Wound Healing Process by M. Jeevitha, Kaarthikeyan Gurumoorthy, M. Navarasu

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Design, synthesis, structural characterization, in vitro anticancer activity, and in silico studies of some new hydroxylated and fluorinated-substituted hydrazone derivatives by Reşit Çakmak, Eyüp Başaran, Ömer Erdoğan, Suraj N. Mali, Semiha Köprü, Haya Yasin, Shailesh S. Gurav, Giray Topal

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Toxic effects of monocrotophos and glyphosate on the female reproductive organ and aromatase gene expression in climbing perch by Sujata Mohapatra, Rajesh Kumar, Jitendra Kumar Sundaray, Lakshman Sahoo, Mohd Ashraf Rather, Sangita Dixit, Vasam Manohar, Kiran Rasal, Sukanta K. Pradhan, C.S.K. Mishra, Dhananjaya Mishra, SriangaTilak Patnaik

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Unveiling the biological activities of Heliotropium indicum L. plant extracts: anti-inflammatory activities, GC–MS analysis, and in-silico molecular docking by Mst. Sadia Afroz Shoily, Md. Ekramul Islam, Nur Mohammad Rasel, Shahnaz Parvin, Jaytirmoy Barmon, Aqibul Hasan Aqib, Debendra Nath Roy, Mst. Shahnaj Parvin

Subjects: “…Molecular docking…”
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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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AM1241 inhibits chondrocyte inflammation and ECM degradation through the Nrf2/HO-1 and NF-κB pathways and alleviates osteoarthritis in mice by Zhuan Zou, Songmu Pan, Changzheng Sun, Jiyong Wei, Yi Xu, Kaizhen Xiao, Jinmin Zhao, Ronghe Gu

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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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