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Protein interactions

Cheminformatics-based screening and evaluation of phytochemicals as CDK2 inhibitors in colorectal cancer therapy

Nowshin Tabassum, Md. Ekram Hossan, Md. Mujahidul Islam, Mahmudul Hasan, Md Salamoon Islam, Sunjida Masud, Firoz Ahmed, Noimul Hasan Siddiquee

published 03 Sep 2025

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Computational prediction of high-risk non-synonymous SNPs in human ApoE and their structural impact on amyloid-β interaction in Alzheimer’s disease pathogenesis

Md. Mainuddin Hossain, Juthi Adhikari, Amit Dutta, Afia Khandaker, Sirajul Islam, Md Masuder Rahman, Abu Zaffar Shibly

published 02 Sep 2025

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Targeting the cyclin D/CDK4 Axis to unlock new therapeutic approaches to enhance cancer treatment

Ibrahim Khater, Aaya Nassar

published 22 Aug 2025

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Structural disorder and distinctive motifs in the C-terminal region of the MADS-domain transcription factors are conserved across diverse taxa

Erandi Ramírez-Aguirre, Teresa Beatriz Nava-Ramírez, Alejandra A. Covarrubias, Adriana Garay-Arroyo

published 22 Aug 2025

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Characterization of multi-targeted insulin-mimetic antidiabetic peptides using in silico approaches

Anas Bilal, Ghulam Mustafa

published 19 Aug 2025

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RPIPLM: Prediction of ncRNA-protein interaction by post-training a dual-tower pretrained biological model with supervised contrastive learning

Yiwei Liu, Ting Bao, Peng Yin, Shumin Wang, Yanbin Wang

published 14 Aug 2025

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Structure-based virtual screening, molecular docking, and MD simulation studies: An in-silico approach for identifying potential MBL inhibitors

Emira Noumi, Mejdi Snoussi, Nouha Bouali, Mamdouh M. Alshammari, Hisham N. Altayb, Muhammad Afzal, Vincenzo De Feo

published 31 Jul 2025

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Evaluating the inhibitory efficacy of Oxalis phytocompounds on monoamine oxidase B: An integrated approach targeting age related neurodegenerative diseases through molecular docking and dynamics simulations

Ram Lal (Swagat) Shrestha, Shiva M. C., Ashika Tamang, Manila Poudel, Nirmal Parajuli, Aakar Shrestha, Timila Shrestha, Samjhana Bharati, Binita Maharjan, Bishnu P. Marasini, Jhashanath Adhikari Subin

published 30 Jul 2025

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Different SARS-CoV-2 variants inhibited by RRM designed peptide

Uros Krapez, Urska Kuhar, Petra Šenica, Brigita Slavec, Drasko Cosic, Ivan Loncarevic, Sandra Janezic, Irena Cosic

published 22 Jul 2025

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Targeted modulation of MMP9 and GRP78 via molecular interaction and in silico profiling of Curcuma caesia rhizome metabolites: A computational drug discovery approach for cancer therapy

Mahek Desai, Soham Bhattacharya, Saurabhkumar Mehta, Kaushiki Joshi, Mitesh B. Solanki, Trilok Akhani, Iva Viehmannová, Eloy Fernández Cusimamani

published 18 Jul 2025

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Exploration of effective pharmacological inhibitors for NS5 protein through computational approach: A strategy to combat the neglected Kyasanur forest disease virus

Sharanappa Achappa, Nayef Abdulaziz Aldabaan, Mohammed Alasmary, Ibrahim Ahmed Shaikh, Mater H. Mahnashi, Shivalingsarj V. Desai, Uday M. Muddapur, Aejaz Abdullatif Khan, Basheerahmed Abdulaziz Mannasaheb

published 10 Jul 2025

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Protein-protein interaction prediction using bidirectional GRUs with explicit ensemble

Qiuhong Lan, Zhongtuan Zheng, Zhen Tang, Xuehua Qiu, Zhixiang Yin

published 02 Jul 2025

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A computational study exploring echinoderm-derived compounds for inhibition of aminoglycoside acetyltransferases

Abdullah R. Alanzi, Moneerah J. Alqahtani, Jawaher H. Alqahtani, Hattan A. Alharbi

published 01 Jul 2025

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