Publication date: Available online 26 September 2023
Source: Computational Biology and Chemistry
Author(s): Helmi Husaini Zainal Fithri, Zalikha Ibrahim, Ernie Zuraida Ali
Category Archives: Computational Biology and Chemistry
Editorial Board
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
An efficient new method of ytterbium(III) triflate catalysis approach to the synthesis of substituted pyrroles: DFT, ADMET, and molecular docking investigations
Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s): Goncagül Serdaroğlu, Nesimi Uludag, Elvan Üstün
Synthesis, biological evaluation, and molecular modelling of novel quinoxaline-isoxazole hybrid as anti-hyperglycemic
Publication date: October 2023
Source: Computational Biology and Chemistry, Volume 106
Author(s): Lacksany Phongphane, Siti Nurshahira Mohd Radzuan, Mohamad Hafizi Abu Bakar, Mohammad Tasyriq Che Omar, Unang Supratman, Desi Harneti, Habibah A. Wahab, Mohamad Nurul Azmi