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Journal of Computational Biophysics and Chemistry

IF2.3
Papers115
Citations
Journal Papers 115
Publication Date
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Design and Evaluation of Pyridine-Pyrazoline-Based MAO Inhibitors: Synthesis, Molecular Docking, Molecular Dynamics, MM-GBSA, Principal Component Analysis, Free Energy Landscape, and In Vitro Cytotoxicity Studies
deleteJournal of Computational Biophysics and Chemistry
IF2.3
delete2026-05-01
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deleteFathima, C. Zakiya; Mathew, Jane B.
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Biogenic Polyphenol Oxidase-Al2O3 Nanoconjugates Mediated by Pleurotus ostreatus for Antioxidant Activity and Phenolic Wastewater Treatment: A Combined Experimental-Computational Approach
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IF2.3
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deleteIslam, Hadia; Ali, Sikander; Khalid, Zunera; Shakoor, Bushra; Ahmad, Muhammad Usman; Mateev, Emilio; Fatima, Syeda Rehal; Awan, Muhammad Umer Farooq; Irfan, Ali; Bin Jardan, Yousef A.
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Phytochemical Profiling and In Silico Targeting of Krüppel-Like Factors 4 (KLF4) by Orthosiphon stamineus for CKD Intervention
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IF2.3
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deleteKabilan, Shanmugampillai Jeyarajaguru; Kunjiappan, Selvaraj; Pavadai, Parasuraman
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Integrating Computational and Experimental Approaches to Identify Novel Pyrazolo[3,4-d]pyrimidine-containing Thiadiazole Frameworks for Treating Alzheimer's Disease
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IF2.3
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deleteAlharbi, Hanan M.; Al-Hoshani, Nawal; Sameeh, Manal Y.; Sarfraz, Hina; Chudhary, Maham; Asif, Faisal; Khan, Azmat Ullah; Hussain, Rafaqat; Mansouri, Omniah A.; Jamal, Syed Babar
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Mechanistic Insights of Corylifol A-Mediated EGFR Inhibition and Network Modulation in Breast Cancer: A Computational Pharmacology Study
deleteJournal of Computational Biophysics and Chemistry
IF2.3
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deleteUmamaheswari, K. V.; Desaipatti, Roopadevi; Sultana, Firdos; Dodakallanavar, Jagadeesh
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LC-MS Based Phytochemical Profiling and In Silico Multi-Target Evaluation of Passiflora tarminiana against α-Amylase and α-Glucosidase
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IF2.3
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deleteSonia, G. B.; Sundarapandian, Mahalakshmi; Raj, Vishnu
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Multi-Omics and Machine Learning Integration Identifies TYMP as a Peripheral Blood Biomarker and Therapeutic Target in Alzheimer's Disease
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IF2.3
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deleteAlhashmi, Mohammad Hassan; Suhail, Mohd; Zughaibi, Torki A.; Alghamdi, Rana A.; Sohrab, Sayed Sartaj; Ahmad, Ausaf; Hassan, Iftekhar; Tabrez, Shams
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In Silico Structure-Guided Fragment-Based Identification of Klebsiella pneumoniae Aspartate Semialdehyde Dehydrogenase Inhibitors
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IF2.3
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deleteBanerjee, Adrija; Ganesh, Boggarapu; Guruprasad, Lalitha
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Synthesis, Spectroscopic Characterization, DFT Studies and DNA Docking Analysis of an Ethylphenylazocalix[4]arene Derivative
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IF2.3
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deleteBayrakdar, Alpaslan; Elcin, Serkan; Ashfaq, Muhammad; Smerat, Aseel
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Identification of Potential Phosphodiesterase 1 Inhibitors from Plant Phytochemicals for the Treatment of Cognitive Impairment using Molecular Modeling Tools
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IF2.3
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deleteKunjiappan, Selvaraj; Sundar, Madasamy; Parvathi, Venkataswamy; Pavadai, Parasuraman; Kumar, Bandral Sunil; Palanisamy, Ponnusamy; Pandi, Jeganpandi Senthamarai
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Designing Triazole-Amide Hybrids for Multitarget Enzyme Inhibition: Bridging Synthesis and Computation
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IF2.3
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deleteBukhari, Saba; Saeed, Aamer; Waseem, Amir; Sadiq, Abdul; Anum, Sana; Ahmed, Waqas; Rizwan, Muhammad; Javed, Areeba; Mumtaz, Amara
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DFT-Driven SERS Insight into Epoxycyclohexane (CHO) Adsorption on Ag20, Au20 and Cu20 Nanoclusters for Sensing Applications
deleteJournal of Computational Biophysics and Chemistry
IF2.3
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deleteAl-Otaibi, Jamelah S.; Alamro, Fowzia S.; Almugrin, Aljawhara H.; Sheena Mary, Y.; Jhaa, Gaurav; Cheerlin Mishma, J. N.; Sivasankaran, Roxy. M.; Gamberini, Maria Cristina
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Deciphering of Cytotoxicity in Fungal-Derived Cytochalasans Using a Deep Neural Network Framework Supported by Molecular Docking and Molecular Dynamic Simulations
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IF2.3
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deleteElsenety, Mohamed M.; Pereira, Florbela; Elfiky, Abdo A.; Rashwan, Mahmoud E.; Tammam, Mohamed A.; El-Demerdash, Amr
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Discovery of Novel KRAS Inhibitors: A Computational Study
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IF2.3
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deleteWahan, Simranpreet K.; Smile; Chawla, Pooja A.; Singh, Rajveer; Sharma, Rashmi; Bhargava, Gaurav; Kumar, Vivek; Kumar, Ajit
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Network Pharmacology and Molecular Simulations Identify AURKA and CDK1 as Potential Targets of 20(S)-Rg3 in Prostate Cancer
deleteJournal of Computational Biophysics and Chemistry
IF2.3
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deleteYu, Zien; Li, Yanzhen; Huang, Chi; Wei, Mingyu; Ma, Shaojie; Wang, Xiujun; Yuan, Chunluan
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Evaluation of Astragalus tephrosoides Methanol Extract as a Cytotoxic Agent Against MCF-7 Breast Cancer Cells
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IF2.3
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deleteAli, Ramisha; Ali Chohan, Tahir; Qayyum, Aisha; Ur Rehman, Zia; Ashfaq, Khurram; Alhuthali, Hayaa M.; Alzahrani, Abdullah R.; Imran, Mohd
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In-silico Evaluation of Pyrrolopyrimidine Derivatives as Novel Bruton's Tyrosine Kinase (BTK) Inhibitors for B-Cell Malignancies
deleteJournal of Computational Biophysics and Chemistry
IF2.3
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deleteDhir, Ryena; Ghosh, Pitam; Sharma, Dinki; Dhiman, Shubam; Ali, Abuzer; Asati, Vivek
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Optimizing the Cardiotoxicity Profile of Osimertinib via Scaffold Hopping: An Integrated Cheminformatics and Molecular Modeling Approach
deleteJournal of Computational Biophysics and Chemistry
IF2.3
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deleteNagpure, Narendra; Kadam, Vaibhav; Patil, Bhatu; Chinnam, Sampath; Gawli, Chandrakant; Ahmad, Iqrar; Patel, Harun M.
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Dynamics of the Unfolding of Riboswitch in Free Energy Landscape: A Theoretical Study
deleteJournal of Computational Biophysics and Chemistry
IF2.3
delete2026-03-01
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deleteSharma, Shivangi; Singh, Vishal
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Optimization of 1-(Difluoromethyl)-6-(1H2 Imidazol-5-yl) Imidazo[1,5-a] Pyrazin-8(7H)-One Frameworks as Promising Cholinesterase Inhibitors for Treating Alzheimer's Disease
deleteJournal of Computational Biophysics and Chemistry
IF2.3
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deleteAlharbi, Hanan M.; Al-Hoshani, Nawal; Sarfraz, Hina; Bello, Abubakar Sadiq; Chohan, Tahir Ali; Khan, Azmat Ullah; Sardar, Asma; Alwethaynani, Maher S.; Sagini, Hanan Abdulrahman; Alwabsi, Hayam A.; Al-Joufi, Fakhria A.; Hussain, Rafaqat
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