Chemistry

Assessment of the hypoglycemic and anti-hemostasis effects of <em>Paederia foetida</em> (L.) in controlling diabetes and thrombophilia combining in vivo and computational analysis

Posted on 13 October 2023 by ScienceDirect Publication: Computational Biology and Chemistry

Publication date: December 2023

Source: Computational Biology and Chemistry, Volume 107

Author(s): Jannatul Ferdous, Md. Ekhtiar Rahman, Farzana Sayed Sraboni, Amit Kumar Dutta, Md. Siddikur Rahman, Md. Roushan Ali, Biswanath Sikdar, Alam Khan, Md. Faruk Hasan

Graph Attention Network based mapping of knowledge relations between chemical spaces of Nuclear factor kappa B and <em>Centella asiatica</em>

Posted on 13 October 2023 by ScienceDirect Publication: Computational Biology and Chemistry

Publication date: December 2023

Source: Computational Biology and Chemistry, Volume 107

Author(s): Vivek P., Mithun Mohanan, Shajil U K, Sandesh E PA, Jaleel U C A

The marijuana-schizophrenia multifaceted nexus: Connections and conundrums towards neurophysiology

Posted on 13 October 2023 by ScienceDirect Publication: Computational Biology and Chemistry

Publication date: December 2023

Source: Computational Biology and Chemistry, Volume 107

Author(s): Pukar Khanal, Vishal S. Patil, B.M. Patil, Kunal Bhattacharya, Amit Kumar Shrivastava, Raushan K. Chaudhary, Lokjan Singh, Prarambh SR Dwivedi, Darasaguppe R. Harish, Subarna Roy

Quantum gate algorithm for reference-guided DNA sequence alignment

Posted on 13 October 2023 by ScienceDirect Publication: Computational Biology and Chemistry

Publication date: December 2023

Source: Computational Biology and Chemistry, Volume 107

Author(s): G.D. Varsamis, I.G. Karafyllidis, K.M. Gilkes, U. Arranz, R. Martin-Cuevas, G. Calleja, P. Dimitrakis, P. Kolovos, R. Sandaltzopoulos, H.C. Jessen, J. Wong

New thiazolidine-2,4-diones as effective anti-proliferative and anti-VEGFR-2 agents: Design, synthesis, in vitro, docking, MD simulations, DFT, ADMET, and toxicity studies

Posted on 13 October 2023 by ScienceDirect Publication: Computational Biology and Chemistry

Publication date: December 2023

Source: Computational Biology and Chemistry, Volume 107

Author(s): Hazem Elkady, Abdelrahman A. Abuelkhir, Mahmoud Rashed, Mohammed S. Taghour, Mohammed A. Dahab, Hazem A. Mahdy, Alaa Elwan, Hanan A. Al-ghulikah, Eslam B. Elkaeed, Ibrahim M. Ibrahim, Dalal Z. Husein, Ahmed Metwaly, Ibrahim H. Eissa

Harnessing the druggability at orthosteric and allosteric sites of PD-1 for small molecule discovery by an integrated in silico pipeline

Posted on 13 October 2023 by ScienceDirect Publication: Computational Biology and Chemistry

Publication date: December 2023

Source: Computational Biology and Chemistry, Volume 107

Author(s): Lovika Mittal, Rajiv K. Tonk, Amit Awasthi, Shailendra Asthana