In this study, researchers investigated the design of novel inhibitors for myeloid cell leukemia-1 (Mcl-1) using pyrrolidine derivatives. They employed three molecular modeling techniques, CoMSIA, CoMFA, and HQSAR, to generate models and analyze the inhibitory activity of Mcl-1. The models were visualized using contours and colored fragments, which provided insights into favorable and unfavorable contributions to the inhibitory activity of Mcl-1. Based on these results, the researchers designed four new compounds, which exhibited higher predicted inhibitory activity. To assess the suitability...

Leishmaniose ist eine durch Vektoren übertragene Krankheit, die durch die Leishmania-Parasiten verursacht wird. Es betrifft Menschen und andere Säugetiere und wird durch die Bisse infizierter weiblicher Sandmücken übertragen. Die Krankheit kommt in verschiedenen Teilen der Welt vor, darunter in Afrika, Asien, Europa und Amerika, wobei die Prävalenz je nach Region unterschiedlich hoch ist. In Marokko ist bekannt, dass die durch Leishmania major verursachte zoonotische kutane Leishmaniose sporadische und unvorhersehbare Epidemien verursacht, insbesondere in den südlichen und...

In this book, different Computer Aided Drug Design (CADD) methods were used to design new inhibitors that can be used to treat diabetes disease. 3-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR) and molecular docking approaches were applied to discover and rationalize novel bioactive nitrogen-containing heterocyclic molecules as new -glucosidase inhibitors. In addition, Lipinski's rule of five and ADME/Tox pharmacokinetics were also used to assess the oral bioavailability and study the toxicity of newly designed molecules. All in silico methods show promising results as...

Leishmaniasis is a vector-borne disease caused by the Leishmania parasites. It affects humans and other mammals and is transmitted through the bites of infected female sandflies. The disease is found in different parts of the world, including Africa, Asia, Europe and the Americas, with varying degrees of prevalence depending on the region. In Morocco, zoonotic cutaneous leishmaniasis caused by Leishmania major is known to cause sporadic and unpredictable epidemics, particularly in the southern and southeastern regions of the country. Until now, there is no vaccine or prophylactic drug for...

La leishmaniose est une maladie à transmission vectorielle causée par les parasites Leishmania. Elle affecte les humains et d'autres mammifères et se transmet par les piqûres de phlébotomes femelles infectées. La maladie se trouve dans différentes parties du monde, y compris l'Afrique, l'Asie, l'Europe et les Amériques, avec des degrés de prévalence variables selon la région. Au Maroc, la leishmaniose cutanée zoonotique causée par Leishmania major est connue pour provoquer des épidémies sporadiques et imprévisibles, en particulier dans les régions du sud et du sud-est du...