Comput. Biol. Chem.

Publications

volume 112, 2024

Zahra Iranmanesh, Maryam Dehestani, Saeed Esmaeili-Mahani
Discovering novel targets of abscisic acid using computational approaches. Comput. Biol. Chem. 112 (2024)
Tarikul I. Milon, Yuhong Wang, Ryan L. Fontenot, Poorya Khajouie, Francois Villinger, Vijay Raghavan, Wu Xu
Development of a novel representation of drug 3D structures and enhancement of the TSR-based method for probing drug and target interactions. Comput. Biol. Chem. 112 (2024)
Arupam Patra, Siddhartha Sankar Ghosh, Gurvinder Kaur Saini
Exploring potential molecular targets and therapeutic efficacy of beauvericin in triple-negative breast cancer cells. Comput. Biol. Chem. 112 (2024)
Meredita Susanty, Muhammad K. N. Mursalim, Rukman Hertadi, Ayu Purwarianti, Tati L. R. Mengko
Leveraging protein language model embeddings and logistic regression for efficient and accurate in-silico acidophilic proteins classification. Comput. Biol. Chem. 112 (2024)
Marushka Soobben, Yasien Sayed, Ikechukwu Achilonu
Exploring the evolutionary trajectory and functional landscape of cannabinoid receptors: A comprehensive bioinformatic analysis. Comput. Biol. Chem. 112 (2024)
Weiyu Zhou, Haiqiao Yu, Shuang Yan
Single-cell transcriptome sequencing revealed the metabolic changes and microenvironment changes of cardiomyocytes induced by diabetes. Comput. Biol. Chem. 112 (2024)
Bilal Ahmad Mir, Hilal Tayara, Kil To Chong
SB-Net: Synergizing CNN and LSTM networks for uncovering retrosynthetic pathways in organic synthesis. Comput. Biol. Chem. 112 (2024)
Venkateswarlu Kojja, Vanitha Rudraram, Bhanukiran Kancharla, Hemalatha Siva, Anjana Devi Tangutur, Prasanta Kumar Nayak
Identification of phytoestrogens as sirtuin inhibitor against breast cancer: Multitargeted approach. Comput. Biol. Chem. 112 (2024)
Rumei Li, Zhaoxi Li, Wanrong Luo, Xiaotong Zhu, Baoming Luo
Identification of immunosenescence of unconventional T cells in hepatocellular carcinoma. Comput. Biol. Chem. 112 (2024)
Anlin Hou, Hanyu Luo, Huan Liu, Lingyun Luo, Pingjian Ding
Multi-scale DNA language model improves 6 mA binding sites prediction. Comput. Biol. Chem. 112 (2024)
Akash Ajay, Tina Begum, Ajay Arya, Krishan Kumar, Shandar Ahmad
Global and local genomic features together modulate the spontaneous single nucleotide mutation rate. Comput. Biol. Chem. 112 (2024)
Gláucia C. B. Silva, Luciana R. Camillo, Dalma B. Santos, Maurício S. Amorim, Luana P. Gonçalves, Ana C. O. Barbosa, Dílson S. Rocha Junior, Grazielle M. Alcântara, Marcio G. C. Costa
Identification of DEMETER-like DNA demethylase gene family in citrus and their role in drought stress-adaptive responses. Comput. Biol. Chem. 112 (2024)
S. Iyyappan, Mohd Ashraf Rather, Ishtiyaq Ahmad, Irfan Ahmad
Comparative mitochondrial genomics analysis of selected species of Schizothoracinae sub family to explore the differences at mitochondrial DNA level. Comput. Biol. Chem. 112 (2024)
Saba Ali, Aamir Aman, Kowit Hengphasatporn, Lipika Oopkaew, Bunyaporn Todee, Ryo Fujiki, Ryuhei Harada, Yasuteru Shigeta, Kuakarun Krusong, Kiattawee Choowongkomon, Warinthorn Chavasiri, Peter Wolschann, Panupong Mahalapbutr, Thanyada Rungrotmongkol
Evaluating solubility, stability, and inclusion complexation of oxyresveratrol with various β-cyclodextrin derivatives using advanced computational techniques and experimental validation. Comput. Biol. Chem. 112 (2024)
Sarvesh Sabarathinam, Akash Jayaraman, Ramesh Venkatachalapathy
Computational exploration of Ganoderma lucidum metabolites as potential anti-atherosclerotic agents: Insights from molecular docking and dynamics simulations. Comput. Biol. Chem. 112 (2024)
Deblina Rababi, Anish Nag
A top-down approach for studying the in-silico effect of the novel phytocompound tribulusamide B on the inhibition of Nipah virus transmission through targeting fusion glycoprotein and matrix protein. Comput. Biol. Chem. 112 (2024)
Prangan Nath, Kaveri Bhuyan, Dhruba Kumar Bhattacharyya, Pankaj Barah
ETENLNC: An end to end lncRNA identification and analysis framework to facilitate construction of known and novel lncRNA regulatory networks. Comput. Biol. Chem. 112 (2024)
Subham Dawn, Prabir Manna, Totan Das, Prabhat Kumar, Moumita Ray, Shovanlal Gayen, Sk. Abdul Amin
Exploring fingerprints for antidiabetic therapeutics related to peroxisome proliferator-activated receptor gamma (PPARγ) modulators: A chemometric modeling approach. Comput. Biol. Chem. 112 (2024)
Yanqiu Wang, Tong Wang, Yi Cao, Xu Qiao, Xianhua Han, Zhi-Ping Liu
TopMarker: Computational screening biomarkers of hepatocellular carcinoma from transcriptome and interactome based on differential network topological parameters. Comput. Biol. Chem. 112 (2024)
Belma Aslim, Serap Nigdelioglu Dolanbay, Sahra Setenay Baran
Exploring allocryptopine as a neuroprotective agent against oxidative stress-induced neural apoptosis via Akt/GSK-3β/tau pathway modulation. Comput. Biol. Chem. 112 (2024)
Mourad Fawzi, Abdoullah Bimoussa, Yassine Laamari, Muhammed Tilahun Muhammed, Ali Irfan, Ali Oubella, Manal A. Alossaimi, Yassine Riadi, Aziz Auhmani, Moulay Youssef Ait Itto
Multitargeted molecular docking and dynamics simulation studies of 1,3,4-thiadiazoles synthesised from (R)-carvone against specific tumour protein markers: An In-silico study of two diastereoisomers. Comput. Biol. Chem. 112 (2024)
Meng Wang, Xinyue Yan, Yanan Dong, Xiaoqin Li, Bin Gao
From driver genes to gene families: A computational analysis of oncogenic mutations and ubiquitination anomalies in hepatocellular carcinoma. Comput. Biol. Chem. 112 (2024)
Sandra Saric, Tomislav Kostic, Milan Lovic, Ivana Aleksic, Dejan Hristov, Miljana Sarac, Aleksandar M. Veselinovic
In silico development of novel angiotensin-converting-enzyme-I inhibitors by Monte Carlo optimization based QSAR modeling, molecular docking studies and ADMET predictions. Comput. Biol. Chem. 112 (2024)
Bahar Çiftçi, Ramazan Tekin
Prediction of viral families and hosts of single-stranded RNA viruses based on K-Mer coding from phylogenetic gene sequences. Comput. Biol. Chem. 112 (2024)
Hossein Shirani, Sayed Majid Hashemianzadeh
Quantum-level machine learning calculations of Levodopa. Comput. Biol. Chem. 112 (2024)
Nur Lina Rahmat, Anis Nadyra Zifruddin, Nur Syamimi Yusoff, Suhaila Sulaiman, Cik Mohd Rizuan Zainal Abidin, Nurul Wahida Othman, Nor Azlan Nor Muhammad, Maizom Hassan
Transcriptome analysis reveals mechanisms of metabolic detoxification and immune responses following farnesyl acetate treatment in Metisa plana. Comput. Biol. Chem. 112 (2024)
Deepesh Kumar Patel, Harish Kumar, M. Elizabeth Sobhia
Exploring the binding dynamics of covalent inhibitors within active site of PLpro in SARS-CoV-2. Comput. Biol. Chem. 112 (2024)
Ying Qian, Xinyi Li, Jian Wu, Qian Zhang
MMCL-CPI: A multi-modal compound-protein interaction prediction model incorporating contrastive learning pre-training. Comput. Biol. Chem. 112 (2024)
Jia-Lin Cui, Hua Li, Qi He, Bin-Yan Jin, Zhe Liu, Xiao-Ming Zhang, Li Zhang
Integrating classic AI and agriculture: A novel model for predicting insecticide-likeness to enhance efficiency in insecticide development. Comput. Biol. Chem. 112 (2024)
Safia Samir, Mohamed El-Ashry, Waleed Soliman, Marwa Hassan
Urinary biomarkers analysis as a diagnostic tool for early detection of pancreatic adenocarcinoma: Molecular quantification approach. Comput. Biol. Chem. 112 (2024)
Chaochun Wei, Haolin Zhang, Lexuan Niu, Qidi Zhong, Hong Yan, Juan Wang
4D-QSAR, ADMET properties, and molecular dynamics simulations for designing N-substituted urea/thioureas as human glutaminyl cyclase inhibitors. Comput. Biol. Chem. 112 (2024)
Ashanul Haque, Khalaf M. Alenezi, Mohd. Saeed Maulana Abdul Rasheed
Identification of imidazole-based small molecules to combat cognitive disability caused by Alzheimer's disease: A molecular docking and MD simulations based approach. Comput. Biol. Chem. 112 (2024)
Vanessa de Melo Cavalcanti-Dantas, Brenda Fernandes, Pedro Henrique Lopes Ferreira Dantas, Glaucielle Ramalho Uchoa, Andrei Félix Mendes, Waldecir Oliveira de Araújo Júnior, Lúcio Roberto Cançado Castellano, Ana Isabel Vieira Fernandes, Luiz Ricardo Goulart, Renato Antônio dos Santos Oliveira, Priscilla Anne Castro de Assis, Joelma Rodrigues De Souza, Clarice Neuenschwander Lins de Morais
Differential epitope prediction across diverse circulating variants of SARS-COV-2 in Brazil. Comput. Biol. Chem. 112 (2024)
Payal Singh, Almas Akhtar, Nikita Admane, Abhinav Grover
The antiviral drug Ribavirin effectively modulates the amyloid transformation of α-Synuclein protein. Comput. Biol. Chem. 112 (2024)
Jiayi Wei, Xin Wang, Hongping Guo, Ling Zhang, Yao Shi, Xiao Wang
Subclassification of lung adenocarcinoma through comprehensive multi-omics data to benefit survival outcomes. Comput. Biol. Chem. 112 (2024)
Mark Andrian B. Macalalad, Nyzar Mabeth O. Odchimar, Fredmoore L. Orosco
High-throughput virtual screening of Streptomyces spp. metabolites as antiviral inhibitors against the Nipah virus matrix protein. Comput. Biol. Chem. 112 (2024)
Vishu Gupta, Bani Jolly, Rahul C. Bhoyar, Mohit Kumar Divakar, Abhinav Jain, Anushree Mishra, Vigneshwar Senthivel, Mohamed Imran, Vinod Scaria, Sridhar Sivasubbu
Spectrum of rare and common mitochondrial DNA variations from 1029 whole genomes of self-declared healthy individuals from India. Comput. Biol. Chem. 112 (2024)
Sandra De La Torre, Sebastián Adolfo Cuesta, Luis Calle, José Ramón Mora, José Luis Paz, Patricio J. Espinoza-Montero, Máryury Flores-Sumoza, Edgar Márquez
Computational approaches for lead compound discovery in dipeptidyl peptidase-4 inhibition using machine learning and molecular dynamics techniques. Comput. Biol. Chem. 112 (2024)
Bharath Kumar Chagaleti, Shantha Kumar B., Anjana G. V., Rajakrishnan Rajagopal, Ahmed Alfarhan, Jesu Arockiaraj, Muthu Kumaradoss Kathiravan, S. Karthick Raja Namasivayam
Targeting cyclin-dependent kinase 2 CDK2: Insights from molecular docking and dynamics simulation - A systematic computational approach to discover novel cancer therapeutics. Comput. Biol. Chem. 112 (2024)
Zuxi Cui, Fredrick R. Schumacher
Small-group originating model: Optimized individual-level GWAS simulation featured by SLiM and using open-access data. Comput. Biol. Chem. 112 (2024)
Xinyi Wang, Shunfang Wang
ACP-PDAFF: Pretrained model and dual-channel attentional feature fusion for anticancer peptides prediction. Comput. Biol. Chem. 112 (2024)
Muhammad Bilal Afridi, Haseeba Sardar, Goncagül Serdaroglu, Syed Wadood Ali Shah, Khalaf F. Alsharif, Haroon Khan
SwissADME studies and Density Functional Theory (DFT) approaches of methyl substituted curcumin derivatives. Comput. Biol. Chem. 112 (2024)
Mingguang Shi, Xudong Cheng, Yulong Dai
STPDA: Leveraging spatial-temporal patterns for downstream analysis in spatial transcriptomic data. Comput. Biol. Chem. 112 (2024)
Nirjara Singhvi, Chandni Talwar, Shekhar Nagar, Helianthous Verma, Jasvinder Kaur, Nitish Kumar Mahato, Nabeel Ahmad, Krishnendu Mondal, Vipin Gupta, Rup Lal
Insights into the radiation and oxidative stress mechanisms in genus Deinococcus. Comput. Biol. Chem. 112 (2024)
Mazumder Adhish, I. Manjubala
Probing the effects of single point mutations in the GKWWRPS motif on the PNAIG motif within Loop 2 of sclerostin (SOST) using in-silico techniques. Comput. Biol. Chem. 112 (2024)
Zulqurnain Sabir, Tino Bou Rada, Zeinab Kassem, Muhammad Umar, Soheil Salahshour
A novel radial basis neural network for the Zika virus spreading model. Comput. Biol. Chem. 112 (2024)
Ankur Datta, Neethu George, Tejaswini Koppolu, Udhaya Kumar. S, R. Bithia, Hatem Zayed, George Priya Doss. C
Unraveling the intricate physiological processes dysregulated in CHD-affected and Dan-Lou tablet-treated individuals. Comput. Biol. Chem. 112 (2024)
Luo De, Nan Xing, Qinyun Du, Sa Guo, Shaohui Wang
Investigating the anti-lung cancer properties of Zhuang medicine Cycas revoluta Thunb. leaves targeting ion channels and transporters through a comprehensive strategy. Comput. Biol. Chem. 112 (2024)
Sujisha S. Nambiar, Siddhartha Sankar Ghosh, Gurvinder Kaur Saini
Gliotoxin triggers cell death through multifaceted targeting of cancer-inducing genes in breast cancer therapy. Comput. Biol. Chem. 112 (2024)
Pengli Lu, Jialong Tian
ACDMBI: A deep learning model based on community division and multi-source biological information fusion predicts essential proteins. Comput. Biol. Chem. 112 (2024)