Designᴵᵀ-TO-LEAD
2nd Computational Medicinal Chemistry Workshop
June 13th – 18th, 2022
Kragujevac, Serbia
Workshop
Designᴵᵀ-TO-LEAD is the specialized Workshop, organized in City of Kragujevac, Republic of Serbia, with the aim to contribute in spreading knowledge in the field of Medicinal Chemistry and Rational Drug Design by means of employment of computer and computational techniques.
targets
Designᴵᵀ-TO-LEAD is structured for students of Chemistry, Pharmacy, and Pharmaceutical Biotechnology, PhD students and PostDoc of all disciplines involved in Medicinal Chemistry, as well as for Academics and industry involved in providing medicinal and pharmaceutical services.
TOPICS
Designᴵᵀ-TO-LEAD will cover the main computational techniques currently used in the drug discovery, process supplying a basic level of knowledge of this field. All the thought computational approaches will focus mainly on the development of 3-D QSAR and related tools.
STRUCTURE
Designᴵᵀ-TO-LEAD will be divided into theoretical lesson and practical sessions with the aim to allow the participants to independently apply the computational techniques to their own home projects.
Venue
Designᴵᵀ-TO-LEAD will be held in city of Kragujevac, the largest city of the District of Šumadija and the fourth largest city in the Republic of Serbia. Numerous archeological sites from prehistoric, antic and medieval period are testimonies of settlement’s long history. The first written records of medieval square Kragujevac are found in Turkish document, Tapu-Defter, dated in 1476. The city is most probably named after Kraguj, the believed owner of the estate on which the settlement was built. But according to another myth the name came from a bird of prey called kraguj.
Program
The workshop will be organized to have theoretical lectures in the morning, given by experts, and applicative sessions in the afternoon with pre-prepared tutorials. During the first four days, the participants will be gradually introduced to the building and evaluation of predictive 3-D QSAR models, focusing on the correct and in-depth interpretation of the models themselves to design new bio-active molecules. On the fifth day, participants will have the chance to apply the 3-D QSAR methodologies to their chosen set of molecules to develop their own models that will be presented during the last day afternoon. Therefore, the main objective of the course is to prepare the participant to correctly apply computational methods to develop 3-D QSAR protocols and derive ready-to-use models.