Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s):
Terpenoid phytocompounds from mangrove plant <em>Xylocarpus moluccensis</em> as possible inhibitors against SARS-CoV-2: In silico strategy
Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s): Kiran Bharat Lokhande, Arti Kale, Bhagyashree Shahakar, Ashish Shrivastava, Neelu Nawani, K. Venkateswara Swamy, Ashutosh Singh, Sarika Vishnu Pawar
Role of molecular mimicry in the SARS-CoV-2-human interactome for pathogenesis of cardiovascular diseases: An update to ImitateDB
Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s): Sonali Tayal, Sonika Bhatnagar
Exploring antiviral potency of <em>N</em>-1 substituted pyrimidines against HIV-1 and other DNA/RNA viruses: Design, synthesis, characterization, ADMET analysis, docking, molecular dynamics and biological activity
Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s): Ritika Srivastava, Sunil K. Gupta, Farha Naaz, Parth Sarthi Sen Gupta, Madhu Yadav, Vishal Kumar Singh, Saroj Kumar Panda, Satyaranjan Biswal, Malay Kumar Rana, Satish Kumar Gupta, Dominique Schols, Ramendra K. Singh
Generative Pre-trained Transformer (GPT) based model with relative attention for de novo drug design
Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s): Suhail Haroon, Hafsath C.A., Jereesh A.S.
<em>In vitro</em> and <em>in silico</em> evaluation of new thieno[2,3-<em>d</em>]pyrimidines as anti-cancer agents and apoptosis inducers targeting VEGFR-2
Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s): Souad A. El-Metwally, Abdelrahman A. Abuelkhir, Hazem Elkady, Mohammed S. Taghour, Ibrahim M. Ibrahim, Dalal Z. Husein, Aisha A. Alsfouk, Ahlam Sultan, Ahmed Ismail, Samy Y. Elkhawaga, Eslam B. Elkaeed, Ahmed M. Metwaly, Ibrahim H. Eissa
Identification of oil palm <em>cis</em>-regulatory elements based on DNA free energy and single nucleotide polymorphism density
Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s): Redi Aditama, Zulfikar Achmad Tanjung, Victor Aprilyanto, Widyartini Made Sudania, Condro Utomo, Tony Liwang
MicroRNA networks linked with BRCA1/2, PTEN, and common genes for Alzheimer’s disease and breast cancer share highly enriched pathways that may unravel targets for the AD/BC comorbidity treatment
Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s): Nina Petrović, Magbubah Essack, Ahmad Šami, George Perry, Takashi Gojobori, Esma R. Isenović, Vladan P. Bajić
Ugi efficient synthesis of novel N–alkylated lipopeptides, antimicrobial properties and computational studies in Staphylococcus aureus <em>via</em> MurD antibacterial target
Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s): Oscar Valdes, Akbar Ali, Verónica Carrasco-Sánchez, Gustavo Cabrera-Barjas, Esteban Duran-Lara, Muhammad Ibrahim, Sajjad Ahmad, Rachel Moreno, Odette Concepción, Alexander F. de la Torre, Muhammad Abrar, Luis Morales-Quintana, Diana Abril
Three candidate anticancer drugs were repositioned by integrative analysis of the transcriptomes of species with different regenerative abilities after injury
Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s): Elif Kubat Oktem, Ummuhan Demir, Metin Yazar, Kazim Yalcin Arga