Drug Design

Some useful drugs consist of peptides acting on their protein targets. To make them more efficient and stable, scientists have found a way to replace crucial segments of the peptides with ureido units. These oligoureas, which are composed of urea-based units, fold into a structure similar to that of more

Prof. Alexandre Tkatchenko and his research team at the University of Luxembourg have been awarded grants totalling 500,000 euros to conduct research in the emerging field of machine learning methods for chemical discoveries. The discovery and formulation of new drugs, antivirals, antibiotics and in more

Currently, various therapeutic compounds in the market, such as proteins, enzymes, and amino acids, are "chiral compounds"--molecules with two structures that are "mirror" images of each other but cannot be superimposed. Although the two variants of the molecule, also called "enantiomers," are struc more

Publication date: August 2018 Source:Computational Biology and Chemistry, Volume 75 Author(s): Tahmeena Khan, Rumana Ahmad, Iqbal Azad, Saman Raza, Seema Joshi, Abdul Rahman Khan The present paper deals with in silico evaluation of 32 virtually designed transition metal complexes o more

Publication date: Available online 4 June 2018 Source:Computational Biology and Chemistry Author(s): Yaping Li, Jiale Peng, Yeheng Zhou, Penghua Li, Yingying Li, Xingyong Liu, Abu Nasar Siddique, Li Zhang, Zhili Zuo Checkpoint kinase 1 (Chk1), a serine/threonine protein kinas more

Publication date: August 2018 Source:Computational Biology and Chemistry, Volume 75 Author(s): Abdullahi Ibrahim Uba, Kemal Yelekçi Human histone deacetylase 6 (HDAC6) has been shown to play a major role in oncogenic cell transformation via deacetylation of α-tubulin, making it a viable ta more