Hydroxyethylamine based analog targets microtubule assembly: an in silico study for anti-cancerous drug development by Pawan Kumar, Rajni Khan, Basant Narain Singh, Anisha Kumari, Ankit Rai, Anil Kumar Singh, Amresh Prakash, Shashikant Ray

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Baicalein inhibits PRRSV through direct binding, targeting EGFR, and enhancing immune response by Jing Wu, Qi Lu, Jing Hou, Yueqin Qiu, Min Tian, Li Wang, Kaiguo Gao, Xuefen Yang, Zongyong Jiang

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5-(2-Carboxyethenyl)-Isatin Derivatives as Anticancer Agents: QSAR, Molecular Docking and Molecular Dynamic Simulation Analysis by Leila Emami, zeinab faghih, Masood Fereidoonnezhad, soghra khabnadideh, Farnaz Salehi, Amirhosein Abbasi, Amir Hosein Sakhteman

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Comparative analysis of phytocompounds and repurposed drugs against dengue virus serotypes employing an in silico study by Pranjal Vats, Rajan Rolta, Deeksha Salaria, Ishika Sharma, Anita Verma, Olatomide A. Fadare, Mansi Verma

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Integrative bioinformatic analysis to identify potential phytochemical candidates for glioblastoma by Hafiza Maria Usmani Rana, Haseeb Nisar, Jignesh Prajapati, Dweipayan Goswami, Ravi Rawat, Volkan Eyupoglu, Samiah Shahid, Anum Javaid, Wardah Nisar

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Identification and exploration of novel FGFR-1 inhibitors in the Lotus database for Cholangiocarcinoma (CCA) treatment by Samuel Aduramurewa Osunnaya, Wilberforce K. Ndarawit, Ifeoluwa Aderibigbe, Ibilola A. Omolopo, Precious O. Aribisala, Ayodele Oluwasegun Elekan, Adeola Sakirat Adeyemo, Sheriffdeen Abiola Amoo, Olatunde Simbiat Olamiposi, Njogu M. Kimani, Taiwo Hamidat Olaide, Adedoyin John-Joy Owolade, Damilola Samuel Bodun

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In silico exploration of nitrogenase in Ensifer fredii unraveling structural homology functional and phylogenetic relationships and molecular dynamics by Mohamed Hnini, Karim Rabeh

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Exploring novel ligands for mGluR5: Design, computational analysis, and protein-ligand interaction studies by Chandraprakash Gond, Nikhil Kumar, Vijay Kumar Singh, Anupama Datta, Anjani Kumar Tiwari

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Computational screening of phytochemicals targeting mutant KRAS in colorectal cancer by Muskan Arooj, Rana Muhammad Mateen, Mohsin Javed, Muhammad Ali, Muhammad Irfan Fareed, Rukhsana Parveen, Ali Bahadur, Shahid Iqbal, Sajid Mahmood, Salah Knani, Fadi Jaber, KK Mujeeb Rahman, Meznah M. Alanazi, Randa A. Althobiti, Ibrahim Jafri, Lamiaa Galal Amin

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Synthesis of thiazoloquinolinone derivatives: molecular docking, MD simulation, and pharmacological evaluation as VEGFR-2 inhibitors by Zeinab Amiri, Mohammad Bayat, Davood Gheidari

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Deciphering the structural and dynamic effects of SHP2-E76 mutations: mechanistic insights into oncogenic activation by Humaira Rafiq, Lu Han, Ashfaq Ur Rehman, Pei He, Ali Saber Abdelhameed, Eman S. G. Hassan, Hongxia Fu, Abdul Wadood, Junjian Hu

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Evaluation of natural compounds as folate biosynthesis inhibitors in Mycobacterium leprae using docking, ADMET analysis, and molecular dynamics simulation by Alanzi Abdullah R., Alharbi Hattan A.

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Temperature and solute dependency of conventional {101¯1} twinning shear in Mg by Rui Liang, Qun Zu, Xiaotong Li, Xin Yao, Libin Zhao

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Identification of possible antimalarial constituent(s) from the leaves of Ochna kibbiensis: A phytochemical, in vivo and in silico approaches by A.J. Yusuf, M.I. Abdullahi, I. Nasir, A. Yunusa, A.M. Musa, A.A. Muhammad, A.E. Adegboyega

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Cheminformatics approaches to predict the bioactivity and to discover the pharmacophoric traits crucial to block NF-κB by Rahul D. Jawarkar, Suraj N. Mali, Rahul G. Ingle, Sami A. Al-Hussain, Aamal A. Al-Mutairi, Prashant Deshmukh, Magdi E.A. Zaki

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Hearing atoms hopping in a crystalline ionic conductor by Yoyo Hinuma

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Unveiling the therapeutic role of penfluridol and BMS-754,807: NUDT5 inhibition in breast cancer by Majed S. AlFayi, Mohd Saeed, Irfan Ahmad, Mohd Adnan Kausar, Samra Siddiqui, Saba Irem, Faisal Fawaz Alshammari, Riadh Badraoui, Dharmendra Kumar Yadav

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Elucidation of Callistemon lanceolatus-derived natural compounds in STAT 3 pathway against human cancer cells: in silico and in vitro studies by Mubashir Zafar, Sadaf Anwar, Malik Asif Hussain, Naveed Iqbal, Abrar Ali, Sadaf, Mohammad Zeeshan Najm, Mohd Adnan Kausar

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PLNC8 αβ Potently Inhibits the Flavivirus Kunjin and Modulates Inflammatory and Intracellular Signaling Responses of Alveolar Epithelial Cells by Abubakr A. M. Omer, Sanjiv Kumar, Bo Söderquist, Wessam Melik, Torbjörn Bengtsson, Hazem Khalaf

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Evaluating Kanchner Guggulu’s Therapeutic Potential in Polycystic Ovary Syndrome: A Comprehensive Approach with Network Pharmacology, Transcriptomics, Docking, and MD Simulation by Subhajit Ghosh, Atanu Maity, Bratati Roy, Subarna Thakur

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