Beyond Chemistry: Investigating the Physical, Pharmacological, and Computational Aspects of Polyoxometalate Integrated Solid Lipid Nanoparticles for Cancer Treatment by Khan R, Tulain UR, Shah HS, Usman F, Chohan TA, Iqbal J, Kazi M, Ijaz M, Erum A, Malik NS, Mahmood A

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Telomerase inhibiting phytochemicals derived from Blumea eriantha for cancer treatment: A comprehensive computational analysis by Rahil Ummar Faruk Abbu, Shaik Mohammad Abdul Fayaz, Divyashree M S, Raghu Chandrashekhar H, Prasanna Kumar Reddy Gayam, Archana Mahadev Rao

Subjects: “…Molecular docking…”
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In silico (Eco)toxicology and molecular docking of halogenated and oxygenated rotenoid derivatives by Damião Sampaio de Sousa, Anthony Barbosa Belarmino, Victor Moreira de Oliveira, Francisco Rogênio da Silva Mendes, Emmanuel Silva Marinho, Gabrielle Silva Marinho

Subjects: “…Ecotoxicology. Rotenoids. Molecular docking. In silico.…”
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Naringenin inhibits lipid accumulation by activating the AMPK pathway in vivo and vitro by Xiaoyu Cai, Songxue Wang, Huali Wang, Suwen Liu, Guishan Liu, Huibin Chen, Ji Kang, Hao Wang

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Curcumin: Synthesis optimization and in silico interaction with cyclin dependent kinase by Ahmed Mahmood, Abdul Qadir Muhammad, Imtiaz Shafiq Muhammad, Muddassar Muhammad, Hameed Abdul, Nadeem Arshad Muhammad, Asiri Abdullah M.

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5,7-Dihydroxyflavone acts on eNOS to achieve hypotensive effects in spontaneously hypertensive rats by Zi-Han Shen, Tongjie Ye, Baozhen Chen, Congchao Wan, Xiaolin Lu, Ting-Hsu Chen, Shuang Lin, Jia-Xin Ye, Liping Xie, Yaw-Syan Fu

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In silico approach in the development of structural analogues of resveratrol with improved distribution in the central nervous system by Mitrović Darko, Pavlović Nebojša

Subjects: “…molecular docking…”
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The inhibition of acne protease by some flavones: DFT, SWISSADMET and molecular docking by Latona Dayo, Taiwo Abiodun, Asibor Yemisi, Olarinoye Funke, Semire Banjo

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Chemical reactivity of alliin and its molecular interactions with the M proteasepro of SARS-CoV-2 by López-Orozco Wendolyne, Mendoza-Huizar Humberto Luis, Álvarez-Romero Giaan Arturo, Torres-Valencia Jesús Martín, Sanchez-Zavala Maricruz

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Theoretical Calculations and Molecular Docking Analysis of 4-(2-(4-Bromophenyl)Hydrazineylidene)-3,5-Diphenyl-4H-Pyrazole Molecule by Ümit Yıldıko, Veysel Tahiroğlu, Mehmet Bağlan, Kenan Gören

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Characterization of the Interaction of a Novel Anticancer Molecule with PMMA, PCL, and PLGA Polymers via Computational Chemistry by Edwar D. Montenegro, Jamylle M. Nunes, Igor F. S. Ramos, Renata G. Almeida, Eufrânio N. da Silva Júnior, Márcia S. Rizzo, Edson C. da Silva-Filho, Alessandra B. Ribeiro, Heurison S. Silva, Marcília P. Costa

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Anti-atherosclerosis potential activity from Alphitobius diaperinus: a molecular docking study on NLRP3 receptor by Firdaus Hasibuan, Erfan Andrianto Aritonang

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Prediction of ADMET profile and anti-inflammatory potential of chamuangone by Sompot Jantarawong, Puripat Wathanaphanit, Pharkphoom Panichayupakaranant, Yutthana Pengjam

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Data-driven score tuning for ChooseLD: A structure-based drug design algorithm with empirical scoring and evaluation of ligand–protein docking predictability by Akihiro Masuda, Daichi Sadato, Mitsuo Iwadate

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Investigation of catechin’s anti-inflammatory activity: A bioinformatics and molecular docking study by Nisa Yulianti Suprahman, Bulan Rosita Sari, Riri Fauziyya, Fatimah

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The Effects of Polyphenols on Texture and Flavor of Egg Yolk: A Molecular Docking Study by Tingting Tang, Ruyi Zhang, Cuihua Chang, Junhua Li, Luping Gu, Yanjun Yang, Yujie Su

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Deciphering the potential of plant metabolites as insecticides against melon fly (Zeugodacus cucurbitae): Exposing control alternatives to assure food security by Zinat Jahan Chowdhury, Anik Banik, Tanjin Barketullah Robin, Mohammed Rashed Chowdhury

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POTENSI ANDROGRAFOLID, DEOKSIANDROGRAFOLID, NEOANDROGRAFOLID SEBAGAI ANTIATEROSKLEROSIS PADA CASPASE-1: STUDI IN SILICO by Putu Yudha Ugrasena, Dyah Ratna Ayu Puspita Sari, Putu Ika Indah Indraswari

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Effect of Acetyl tributyl citrate on bone metabolism based on network toxicology and molecular docking technology by Xuan Lin, Kun Lin, Yue Lai, Qingping Peng, Miao Xu, Yiting Xu, Jialin Yang, Huan Liu, Jianlin Shen

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Molecular Docking Study of Caffeic Acid as Acetylcholinesterase Inhibitor by Stephanus Satria Wira Waskitha, Enade Perdana Istyastono, Florentinus Dika Octa Riswanto

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