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ORCIDComputational Biology and Chemistry, Volume 115
Volume 115, 2025
- Vasavi G.
, Vaddadi Vasudha Rani, Sreenu Ponnada, Jyothi S.:
A hybrid EfficientNet-DbneAlexnet for brain tumor detection using MRI images. 108279 - Sabiya Khan, Dharmendra Kumar Khatri:
In-silico screening to identify phytochemical inhibitor for hP2X7: A crucial inflammatory cell death mediator in Parkinson's disease. 108285 - Subramanian Haripriya, Muniyandi Vijayalakshmi, Chandu Ala, Sankaranarayanan Murugesan, Parasuraman Pavadai, Selvaraj Kunjiappan, Sureshbabu Ram Kumar Pandian:
Pharmacoinformatics-based prediction of Checkpoint kinase-1 inhibitors from Momordica charantia Linn. for cancer. 108286 - CV Elizondo-Solis, SE Rojas-Gutiérrez, R. Martínez-Canales, A. Montoya-Rosales, Mf Hernández-García, CP Salazar-Cepeda, KJ Ramírez, M. Gelinas-Martín del Campo, MC Salinas-Carmona, AG Rosas-Taraco, N. Macías-Segura:
Integrative bioinformatics analysis of immune activation and gene networks in pediatric septic arthritis. 108287 - Itishree Panda, Sangeeta Raut, Sangram Keshari Samal, Santosh Kumar Behera, Sanghamitra Pradhan:
Evaluation of 1-vinyl-3-alkyl imidazolium-based ionic liquid monomers towards antibacterial activity: An in-silico & in-vitro study. 108288 - Hemavathy Nagarajan, Umashankar Vetrivel, Jeyaraman Jeyakanthan:
Unveiling novel type 1 inhibitors for targeting LIM kinase 2 (LIMK2) for cancer therapeutics: An integrative pharmacoinformatics approach. 108289 - Waseem, Sabir Ali, Aatif Ali, Adel Thaljaoui, Mutum Zico Meetei:
Dynamics of infectious disease mathematical model through unsupervised stochastic neural network paradigm. 108291 - Tajul Islam Mamun, Sharifa Sultana, Farjana Islam Aovi, Neeraj Kumar, Dharmarpu Vijay, Umberto Laino Fulco, Al-Anood M. Al-Dies, Hesham M. Hassan, Ahmed Al-Emam, Jonas I. N. Oliveira:
Identification of novel influenza virus H3N2 nucleoprotein inhibitors using most promising epicatechin derivatives. 108293 - Colten Alme, Harun Pirim, Yusuf Akbulut:
Machine learning approaches for predicting craniofacial anomalies with graph neural networks. 108294 - Ruchira Selote, Richa Makhijani:
A knowledge graph approach to drug repurposing for Alzheimer's, Parkinson's and Glioma using drug-disease-gene associations. 108302 - Miah Roney, Kelvin Khai Voon Wong, Md. Nazim Uddin, Kamal Rullah, Abdi Wira Septama, Lucia Dwi Antika, Mohd Fadhlizil Fasihi Mohd Aluwi:
Design, synthesis, structural characterization, cytotoxicity and computational studies of Usnic acid derivative as potential anti-breast cancer agent against MCF7 and T47D cell lines. 108303 - Daejin Choi, Sangjun Park:
Improving binding affinity prediction by emphasizing local features of drug and protein. 108310 - Kehui Zhou, Shijia Zhang, Jinbiao Shang, Xiabin Lan:
Exploring immune gene expression and potential regulatory mechanisms in anaplastic thyroid carcinoma using a combination of single-cell and bulk RNA sequencing data. 108311 - Dheepika Venkatesh, Shilpi Sarkar, Thirukumaran Kandasamy, Siddhartha Sankar Ghosh:
In-silico identification and validation of Silibinin as a dual inhibitor for ENO1 and GLUT4 to curtail EMT signaling and TNBC progression. 108312 - Aelvish D. Padariya, Nirbhay K. Savaliya, Hitesh M. Parekh, Bhupesh S. Bhatt, Vaibhav D. Bhatt, Mohan N. Patel:
Synthesis, characterization, and biological activities of novel organometallic compounds of rhenium(I) with 2-(2-benzylidenehydrazinyl) benzothiazole Schiff-base derivatives: Molecular docking, ADME, and DFT studies. 108313 - Changhong Li, Shiyi Tang, Tianqi Hu, Chenkang Zhou, Yuxin Chen, Zhaoting Hu, Jingjing Pan, Jie Chen, Yumin Wang:
Exploring the potential mechanism of action of Wutou-Guizhi decoction in the treatment of rheumatoid arthritis through network pharmacology analysis. 108314 - Zhen Song, Chunlei Xue, Hui Wang, Lijian Gao, Haibin Song, Yuanyuan Yang:
Development of a centrosome amplification-associated signature in kidney renal clear cell carcinoma based on multiple machine learning models. 108317 - Pengli Lu, Jiajie Gao, Wenzhi Liu:
DMNAG: Prediction of disease-metabolite associations based on Neighborhood Aggregation Graph Transformer. 108320 - Xiao Liu, Li Teng, Jing Sun:
Classification and prediction of variants associated with hearing loss using sequence information in the vicinity of mutation sites. 108321 - Jianheng Li, Pengfei Song, Hanxun Wang, Wenxiong Lian, Jiabo Li, Zhijian Wang, Yaming Zhang, Qingkui Cai, Huali Yang, Maosheng Cheng:
Selectivity mechanism of inhibition towards Phosphodiesterase 1B and phosphodiesterase 10A in silico investigation. 108322 - Yongbo Zheng, Yueqiang Peng, Yingying Gao, Guo Yang, Yu Jiang, Gaojie Zhang, Linfeng Wang, Jiang Yu, Yong Huang, Ziling Wei, Jiayu Liu:
Identification and dissection of prostate cancer grounded on fatty acid metabolism-correlative features for predicting prognosis and assisting immunotherapy. 108323 - Vijay H. Masand, Sami A. Al-Hussain, Gaurav S. Masand, Abdul Samad, Rakhi Gawali, Shravan Jadhav, Magdi E. A. Zaki:
e-QSAR (Explainable AI-QSAR), molecular docking, and ADMET analysis of structurally diverse GSK3-beta modulators to identify concealed modulatory features vindicated by X-ray. 108324 - Nouran Yonis, Ahmed Mousa, Mohamed H. Yousef, Ahmed M. Ghouneimy, Areeg M. Dabbish, Hana Abdelzaher, Mohamed Ali Hussein, Shahd Ezzeldin, Abdelmoneim A. Adel, Yosra H. Mahmoud, Nashwa El-Khazragy, Anwar Abdelnaser:
Cracking the code: lncRNA-miRNA-mRNA integrated network analysis unveiling lncRNAs as promising non-invasive NAFLD biomarkers toward precision diagnosis. 108325 - Zhanwei Hou, Zhenhan Xu, Chaokun Yan, Huimin Luo, Junwei Luo:
CPI-GGS: A deep learning model for predicting compound-protein interaction based on graphs and sequences. 108326 - Yunxiang Cai, Wenjuan Zhang, Zhuangzhuang Dou, Chao Wang, Wenping Yu, Lin Wang:
PreTKcat: A pre-trained representation learning and machine learning framework for predicting enzyme turnover number. 108327 - At Vivek, Namrata Sahu, Garima Kalakoti, Shailesh Kumar:
ANNInter: A platform to explore ncRNA-ncRNA interactome of Arabidopsis thaliana. 108328 - Javad Rafiee, Khadijeh Jamialahmadi, Mohammad Javad Bazyari, Seyed Hamid Aghaee-Bakhtiari:
Drug repositioning in castration-resistant prostate cancer using systems biology and computational drug design techniques. 108329 - Lu Zhang, Jianxin Ying, Jian Ke, Likun Ma, Yamin Zhou:
Serum levels of PSA and VEGF2 as the prognosis markers for bone metastasis of prostate cancer: A retrospective study. 108330 - Mohammad Rasouli, Fatemeh Safari, Raheleh Roudi, Navid Sobhani:
Investigation of mesenchymal stem cell secretome on breast cancer gene expression: A bioinformatic approach to identify differentially expressed genes, functional networks, and potential therapeutic targets. 108331 - Shah Tania Akter Sujana, Md Shahjaman, Atul Chandra Singha:
Application of bioinformatic tools in cell type classification for single-cell RNA-seq data. 108332 - Ankur Datta, George Priya Doss C.:
Comparative investigation of lung adenocarcinoma and squamous cell carcinoma transcriptome to reveal potential candidate biomarkers: An explainable AI approach. 108333 - Mingchao Zhang, Zhenming Lin, Wenbin Liu:
The immune microenvironment related biomarker CCL18 for patients with gout by comprehensive analysis. 108334 - Sakthi Ulaganathan, Pon Harshavardhanan, N. V. Ganapathi Raju, G. Parthasarathy:
Hybrid optimization enabled DenseNet for autism spectrum disorders using MRI image. 108335 - Lina Zhang, Sizan Gao, Qinghao Yuan, Yao Fu, Runtao Yang:
An ensemble learning method combined with multiple feature representation strategies to predict lncRNA subcellular localizations. 108336 - Li Zhang, Outi Lampela, Lari Lehtiö, André H. Juffer:
Insights into the behaviour of phosphorylated DNA breaks from molecular dynamic simulations. 108337 - Kamelia Zaman Moon, Md. Habibur Rahman, Md. Jahangir Alam, Md. Arju Hossain, Sungho Hwang, Sojin Kang, Seungjoon Moon, Moon Nyeo Park, Chi-Hoon Ahn, Bonglee Kim:
Unraveling the interplay between cardiovascular diseases and alcohol use disorder: A bioinformatics and network-based exploration of shared molecular pathways and key biomarkers validation via western blot analysis. 108338 - Shuo Wang, Junyan Lu:
Detect influential points of feature rankings. 108339 - Mohammad Y. Alshahrani, Ariha Zaid, Muath Suliman, Shamsa Bibi, Shabbir Muhammad, Shafiq Urréhman:
In-silico discovery of efficient second-generation drug derivatives with enhanced antihistamine potency and selectivity. 108340 - Mohamed J. Saadh, Hanan Hassan Ahmed, Radhwan Abdul Kareem, Vicky Jain, Suhas Ballal, Abhayveer Singh, Girish Chandra Sharma, Anita Devi, Abdulaziz Nasirov, Hayder Naji Sameer, Ahmed Yaseen, Zainab H. Athab, Mohaned Adil:
In Silico design and molecular dynamics analysis of imidazole derivatives as selective cyclooxygenase-2 inhibitors. 108341 - Debasish Swapnesh Kumar Nayak, Ruchika Das, Santanu Kumar Sahoo, Tripti Swarnkar:
ARGai 1.0: A GAN augmented in silico approach for identifying resistant genes and strains in E. coli using vision transformer. 108342 - Sonia Chadha:
A transcriptomic analysis of the interplay of ferroptosis and immune filtration in endometriosis and identification of novel therapeutic targets. 108343 - Srinivasan M, Ismail Y, Navabshan Irfan, Mohammed Zaidh S:
Synergistic suppression of cell growth: Phenmiazine derivatives targeting p53 and MDM2 unveiled through hybrid computational method. 108344 - Humera Azad, Muhammad Yasir Akbar, Jawad Sarfraz, Waseem Haider, Shakira Ghazanfar:
Simulation studies to identify high-affinity probiotic peptides for inhibiting PAK1 gastric cancer protein: A comparative approach. 108345 - Kamonpan Sanachai, Kowit Hengphasatporn, Supakarn Chamni, Khanit Suwanborirux, Panupong Mahalapbutr, Yasuteru Shigeta, Supaporn Seetaha, Kiattawee Choowongkomon, Thanyada Rungrotmongkol:
Exploring mimosamycin as a Janus kinase 2 inhibitor: A combined computational and experimental investigation. 108346 - Arnab Bhattacharjee, Supratik Kar, Probir Kumar Ojha:
Ligand-based cheminformatics and free energy-inspired molecular simulations for prioritizing and optimizing G-protein coupled receptor kinase-6 (GRK6) inhibitors in multiple myeloma treatment. 108347 - Young Ji Choi, Kandasamy Saravanakumar, Jae-Hyoung Joo, Bomi Nam, Yuna Park, Soyeon Lee, Seonju Park, Zijun Li, Lulu Yao, Yunyeong Kim, Navabshan Irfan, Namki Cho:
Metabolomics and network pharmacology approach to identify potential bioactive compounds from Trichoderma sp. against oral squamous cell carcinoma. 108348 - Mohammad Kashif:
Gene expression profiling to uncover prognostic and therapeutic targets in colon cancer, combined with docking and dynamics studies to discover potent anticancer inhibitor. 108349 - Kamel Guedri, Rahat Zarin, Mowffaq Oreijah, Samaher Khalaf Alharbi, Hamiden Abd El-Wahed Khalifa:
Artificial neural network-driven modeling of Ebola transmission dynamics with delays and disability outcomes. 108350 - Mingxin Li, Rujun Li, Yichi Zhang, Shiyu Peng, Zhibin Lv:
Using statistical analysis to explore the influencing factors of data imbalance for machine learning identification methods of human transcriptome m6A modification sites. 108351 - Manyin Zhai, Tongxiu Chen, Mengqiu Shao, Xuesong Yang, Yan Qi, Sai Kong, Lijuan Jiang, Enpin Yang:
Unveiling the molecular mechanisms of Haitang-Xiaoyin Mixture in psoriasis treatment based on bioinformatics, network pharmacology, machine learning, and molecular docking verification. 108352 - Myeonghoon Cho, Byungkyu Park, Kyungsook Han:
Predicting distant metastatic sites of cancer using perturbed correlations of miRNAs with competing endogenous RNAs. 108353 - Nyzar Mabeth O. Odchimar, Albert Neil G. Dulay, Fredmoore L. Orosco:
Molecular modelling and optimization of a high-affinity nanobody targeting the nipah virus fusion protein through in silico site-directed mutagenesis. 108354 - Ping Lu, Liwei Zheng, Junpeng Lin, Zhongqi Cai, Bin Dai, Kaibiao Lin, Fan Yang:
MSMDL-DDI: Multi-Layer Soft Mask Dual-View Learning for Drug-Drug Interactions. 108355 - Wei Qin, Shao Xu, Jiatian Wei, Fuxi Li, Chuanxia Zhang, Huantian Zhang, Yuanxian Liu:
Deciphering chondrocyte diversity in diabetic osteoarthritis through single-cell transcriptomics. 108356 - Dilshod A. Mansurov, Alisher Kh. Khaitbaev, Khamid Kh. Khaitbaev, Khamza S. Toshov, Enrico Benassi:
Relationship between structural properties and biological activity of (-)-menthol and some menthyl esters. 108357 - Rahul Thakur, Vibhor Joshi, Ganesh Chandra Sahoo, Rajnarayan R. Tiwari, Sindhuprava Rana:
In silico analysis of novel Triacontafluoropentadec-1-ene as a sustainable replacement for dodecane in fisheries microplastics: Molecular docking, dynamics simulation and pharmacophore studies of acetylcholinesterase activity. 108358 - Xinyue Yan, Meng Wang, Lurao Ji, Xiaoqin Li, Bin Gao:
Machine learning and molecular subtyping reveal the impact of diverse patterns of cell death on the prognosis and treatment of hepatocellular carcinoma. 108360 - Morteza Hadizadeh, Nahid Askari, Saeideh Jafarinejad-Farsangi:
A single-cell approach to analyzing vascular endothelial cell contributions in VEGF-driven angiogenesis and LINC02313 in gastric cancer. 108361 - Fahamidur Rahaman Rafi, Nafeya Rahman Heya, Md Sadman Hafiz, Jamin Rahman Jim, Md. Mohsin Kabir, Muhammad Firoz Mridha:
A systematic review of single-cell RNA sequencing applications and innovations. 108362 - Lokanathan Jimson, John Patrick Ananth:
NAVT-net neuron attention visual taylor network for lung cancer detection using CT images. 108363 - A. Arun Kumar, Samarth Bhandary, Swathi Gopal Hegde, Jhinuk Chatterjee:
Knowledge graph applications and multi-relation learning for drug repurposing: A scoping review. 108364 - Hassan Raza, Muhammad Junaid Ali Asif Raja, Rikza Mubeen, Zaheer Masood, Muhammad Asif Zahoor Raja:
Synergistic modeling of hemorrhagic dengue fever: Passive immunity dynamics and time-delay neural network analysis. 108365 - Wentao Xia, Jiasai Shu, Chunjiang Sang, Kang Wang, Yan Wang, Tingting Sun, Xiaojun Xu:
The prediction of RNA-small-molecule ligand binding affinity based on geometric deep learning. 108367 - Davinder Paul Singh, Tathagat Banerjee, Pawandeep Kour, Debabrata Swain, Yogendra Narayan:
CICADA (UCX): A novel approach for automated breast cancer classification through aggressiveness delineation. 108368 - Ayman M. Al-Qaaneh, Munthar Kadhim Abosaoda, Lalji Baldaniya, Junainah Abd Hamid, A. Sabarivani, Rajashree Panigrahi, Aman Shankhyan, M. F. Alajmi, Mounir M. Bekhit:
Computational investigation of graphyne monolayer as a promising carrier for anticancer drug delivery. 108369 - Shengqin Wang, Mingjiang Wu:
Decoding the link between microbial secondary metabolites and colorectal cancer. 108372 - Nadia Wahyuningsih, Fatchiyah Fatchiyah, Turhadi Turhadi, Nashi Widodo, Sri Rahayu, Muhaimin Rifa'i:
Virtual screening of polyherbal compounds for AKT1 and HSPB1 inhibition in breast cancer apoptosis pathway. 108374 - Belma Nural Yaman:
16S amplicon sequencing and functional gene prediction of microbial community in Inner West Aegean, Turkey. 108373
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