Search Results - "Talele TT"

An EGFR-Targeting Oxothiazolidinylidene Derivative: From Computational Design to Experimental Validation.

Authors: Elkaeed, Eslam B Elkady, Hazem Elgammal, Walid E et al.

Source: Journal of Chemical Research. Mar/Apr2026, Vol. 50 Issue 2, p1-16. 16p.

Synthesis, quantum chemical calculations, molecular docking, dynamic simulations and ADME predictions of cyclopropylmethyl substituted indole-based hydrazones.

Authors: Kapadiya, Yashraj M. Sadhu, Shyam N. Patel, Ankit S. et al.

Source: Discover Chemistry. 7/4/2026, Vol. 3 Issue 1, p1-23. 23p.

NEK2 regulates B cell function and the severity of experimental autoimmune encephalomyelitis.

Authors: Wu, Si-Ting Zhang, Tian-Xiang Liu, Zhirui et al.

Source: Journal of Neuroinflammation. 6/6/2025, Vol. 22 Issue 1, p1-14. 14p.

Mechanistic investigation of sustainable heme-inspired biocatalytic synthesis of cyclopropanes for challenging substrates.

Authors: Ju, Dongrun Modi, Vrinda Khade, Rahul L. et al.

Source: Communications Chemistry. 11/29/2024, Vol. 7 Issue 1, p1-11. 11p.

Chemoinformatics-based discovery of new indole-1,2,4 triazole analogues with potential for the treatment of typhoid fever.

Authors: Ameji, Philip John Uzairu, Adamu Shallangwa, Gideon Adamu et al.

Source: Discover Chemistry. 3/10/2026, Vol. 3 Issue 1, p1-20. 20p.

The malonyl/acetyl-transferase from murine fatty acid synthase is a promiscuous engineering tool for editing polyketide scaffolds.

Authors: Buyachuihan, Lynn Reiners, Simon Zhao, Yue et al.

Source: Communications Chemistry. 8/24/2024, Vol. 7 Issue 1, p1-15. 15p.

A review on synthetic routes and pharmacological applications of thiophene clubbed benzimidazoles.

Authors: Daisylet, Binitha Sreedharan Raphael, Selwin Joseyphus Dhanaraj, C. Justin et al.

Source: Discover Chemistry. Dec2025, Vol. 2 Issue 1, p1-36. 36p.

Identification of nucleotide binding sites and repurposing of potential FDA-approved inhibitors against human HOP.

Authors: Singh, Gagandeep Chaudhuri, Tapan Kumar

Source: Discover Chemistry. Dec2025, Vol. 2 Issue 1, p1-27. 27p.

A machine learning approach for forecasting the efficacy of pyridazine corrosion inhibitors.

Authors: Trisnapradika, Gustina Alfa Akrom, Muhamad Rustad, Supriadi et al.

Source: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Jan2025, Vol. 144 Issue 1, p1-14. 14p.

Computational and GC-MS screening of bioactive compounds from Thymus Vulgaris targeting mycolactone protein associated with Buruli ulcer.

Authors: Naveed, Muhammad Ali, Imran Aziz, Tariq et al.

Source: Scientific Reports. 1/2/2025, Vol. 15 Issue 1, p1-17. 17p.

A Critical Review on Computational Techniques through in silico Assisted Drug Design.

Authors: Gupta, Pawan Kumar Pal, Yogendra Kumar, Prashant et al.

Source: International Journal of Pharmaceutical Investigation. Oct-Dec2024, Vol. 14 Issue 4, p1035-1041. 7p.

AI-based 3D-QSAR model of FDA-approved repurposed drugs for inhibiting sclerostin.

Authors: Yadalam, Pradeep Kumar Anegundi, Raghavendra Vamsi Ramadoss, Ramya et al.

Source: Technology & Health Care. 2024, Vol. 32 Issue 5, p3007-3019. 13p.

Deoxygenative radical reactions of alcohols: a review.

Authors: Wu, Yu-Xi Chang, Meng-Ran Guan, Zhi-Peng et al.

Source: SCIENCE CHINA Chemistry. Oct2025, Vol. 68 Issue 10, p4595-4641. 47p.

Synthesis of Amide Derivatives of Pyrimidine-Triazolo[1,5-a]pyridin-7-yl) Thiazoles: In Vitro Anticancer Evaluation and In Silico Molecular Binding Studies.

Authors: Raghavender, G. Chandrasekhar, Choragudi Kapavarapu, Ravi Kumar et al.

Source: Arabian Journal for Science & Engineering (Springer Science & Business Media B.V. ). Sep2025, Vol. 50 Issue 18, p14639-14663. 25p.

Synthesis, characterization, and biological evaluation of novel cobalt(II) complexes with β-diketonates: crystal structure determination, BSA binding properties and molecular docking study.

Authors: Joksimović, Nenad Petronijević, Jelena Ćoćić, Dušan et al.

Source: Journal of Biological Inorganic Chemistry (JBIC). Aug2024, Vol. 29 Issue 5, p541-553. 13p.

The synthesis of 1-oxa-9-azaspiro[5.5]undecane derivatives and optimization of antituberculosis activity thereof.

Authors: Komarova, Kristina Yu. Lukin, Alexey Yu. Vinogradova, Lyubov V. et al.

Source: Chemistry of Heterocyclic Compounds. Jun2024, Vol. 60 Issue 5/6, p245-250. 6p.

Highly Drug-Resistant Escherichia coli from Hospital Wastewater with Several Evolutionary Mutations: An Integrated Insights from Molecular, Computational, and Biophysics.

Authors: Shams, Khadija Khan, Ibrar Ahmad, Sajjad et al.

Source: Molecular Biotechnology. Feb2026, Vol. 68 Issue 2, p828-845. 18p.

Sesamol Augments Paclitaxel-Induced Apoptosis in Human Cervical Cancer Cell Lines.

Authors: Xiong, Jiayi Sheng, Juanjuan Wei, Yan et al.

Source: Nutrition & Cancer. 2022, Vol. 74 Issue 10, p3692-3700. 9p. 4 Color Photographs, 1 Graph.

Machine Learning in Drug Discovery: A Review.

Authors: Dara, Suresh Dhamercherla, Swetha Jadav, Surender Singh et al.

Source: Artificial Intelligence Review; Mar2022, Vol. 55 Issue 3, p1947-1999, 53p

StackHCV: a web-based integrative machine-learning framework for large-scale identification of hepatitis C virus NS5B inhibitors.

Authors: Malik, Aijaz Ahmad Chotpatiwetchkul, Warot Phanus-umporn, Chuleeporn et al.

Source: Journal of Computer-Aided Molecular Design; Oct2021, Vol. 35 Issue 10, p1037-1053, 17p