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MedChemBlog
of Medicinal and Toxicological Chemistry I
Università Magna Græcia di Catanzaro
aa 2021/2022
Dear Students of the UMG Medicinal and Toxicological Chemistry I course,
this blog belongs to You!
The MedChemBlog arises from the boundless amount of structural chemical informations available online on accredited and scientifically valid databases (Protein Data Bank, Drug Bank, PubChem and others), but above all from the desire to stimulate the participation of you students and thus, make enjoyable and interactive our learning experience.
With the aim of promoting the development of skills in understanding the molecular structures and mechanisms of drug functioning, in this blog we are going to collect your insights and cues related to the topics covered by the course and discussed together during our lessons.
Your insights and cues will then be the ones to design this blog and color our palette with new and different
shades .. the chemist's laboratory, besides, is not so far from that of the artist!
Have a good job but mainly, have fun!
Gentili Studenti del corso di Chimica Farmaceutica e Tossicologica I dell'UMG,
questo blog Vi appartiene!
Il MedChemBlog nasce dalla sconfinata mole di informazioni chimico strutturali disponibili online su database accreditati e scientificamente validi (Protein Data Bank, Drug Bank, PubChem e altri), ma soprattutto dalla volontà di stimolare la partecipazione di Voi discenti e rendere quindi godibile e interattiva l'esperienza di apprendimento e di studio.
Con lo scopo di favorire lo sviluppo delle competenze nella comprensione delle strutture e dei meccanismi molecolari del funzionamento dei farmaci, in questo blog desideriamo raccogliere tutti gli spunti di riflessione e approfondimenti proposti da Voi studenti e discussi assieme a lezione.
Saranno proprio questi, dunque, a disegnare questo blog e a colorare la nostra tavolozza di sfumature nuove e diverse.. il laboratorio del chimico d'altronde, non è poi così distante da quello dell'artista!
Buon lavoro e buon divertimento!!
Prof. Stefano Alcaro
"Food for thought"
by our MTC1 students
(total number of entries: 72)
(total number of entries discussed by students: 61 )
Chlorhexidine (PubChem)
Crystal structure of human PNMT in complex adohcy, resorcinol and imidazol (PDB ID 4DM3)
2 topic
Antibiotics
Crystal Violet (DrugBank and INSIGHT)
Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae in the Complex with Crystal Violet (PDB ID 6PUB)
Crystal structure of Acetylcholinesterase in complex with Crystal Violet (PDB ID 5OV9)
Structure of the PonA1 protein from Mycobacterium Tuberculosis in complex with penicillin V
(PDB ID 5CXW)Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa in complex with carbenicillin (PDB ID 3OCL)
Crystal structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 in complex with amoxicillin (PDB ID 6l1E)
Crystal Structure of E. coli OmpF porin in complex with Ampicillin (PDB ID 4GCP)
Acetobacter turbidans alpha-amino acid ester hydrolase S205A mutant complexed with ampicillin (PDB 1NX9)
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in acyl-enzyme complex with ampicillin (PDB ID 3ITA)
Crystal Structure of E. coli OmpF porin in complex with Carbenicillin (PDB ID 4GCQ)
Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa in complex with ceftazidime (PDB ID 3OCN)
Cefiderocol (Drugbank)
Beta-lactamase mixed with Sulbactam, 60ms (PDB ID 7K8K)
Sultamicillin (Pubchem)
Sulbactam (Pubchem)
Fosfomycin (Pubchem)
Crystal structure of fosfomycin resistance protein from Klebsiella pneumoniae with bound fosfomycin (PDB ID 5V3D)
Crystal Structure of FosB from Bacillus cereus with Cobalt and Fosfomycin (PDB 4JH5)
Crystal structure of fosfomycin resistance kinase FomA from Streptomyces wedmorensis complexed with MgAMPPNP and fosfomycin (PDB ID 3D41)
MurA dead-end complex with fosfomycin (PDB ID 3KR6)
Vancomycin (Drugbank)
Complex of Vancomycin with D-Lactic-acid (PDB ID 1C0R)
Plazomicin (Drugbank)
Vaborbactam (Drugbank)
Streptomycin (Pubchem)
2.9 A crystal structure of Streptomycin RNA-aptamer complex (PDB ID 1NTB)
Eravaciclyne (Drugbank)
Chloramphenicol (Pubchem)
Structure of chloramphenicol bound to the 50S ribosomal subunit
(PDB 1NJI)Azithromycin (Pubchem)
Macrolide 2'-phosphotransferase type I - complex with guanosine and azithromycin (PDB ID 5IGI)
Macrolide 2'-phosphotransferase type I - complex with guanosine and clarithromycin (PDB ID 5IGJ)
CRYSTAL STRUCTURE OF THE FOSFOMYCIN RESISTANCE PROTEIN A (FOSA) CONTAINING BOUND PHOSPHONOFORMATE (PDB ID 1NKI)
Sulfamethoxazole (Pubchem)
Br-NRF (a brominated norfloxacin) (Pubchem)
Crystal Structure of the Yersinia pestis Dihydropteroate Synthase with Sulfonamide Drug Complex (PDB 3TZF)
Nitrofural (Drugbank)
paAzoR1 binding to nitrofurazone (PDB ID 3R6W)
Ciprofloxacin (Pubchem)
The twinned 3.35A structure of S. aureus Gyrase complex with Ciprofloxacin and DNA (PDB ID 2XCT)
Retapamulin (Drugbank)
DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND TRIMETHOPRIM (PDB ID 1DG5)
CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE (PDB ID 1AJ0)
Pyrazinamide (Pubchem)
Crystal structure of the complex of goat lactoperoxidase with Pyrazinamide at 2.1 A resolution (PDB ID 3R55)
Rifampicin (Pubchem)
Structure of rifampicin monooxygenase complexed with rifampicin (PDB ID 5KOX)
7 topic
Antihelmintics
8 topic
Antiviral drugs
Crystal structure of HIV-1 primary receptor CD4 in complex with a potent antiviral antibody
(PDB ID 3O2D)Efavirenz (Pubchem)
Wild Type HIV-1 Reverse Transcriptase in Complex with Efavirenz (PDB ID 1IKW)
Acyclovir (Pubchem)
CRYSTAL STRUCTURE OF HUMAN PNP COMPLEXED WITH ACYCLOVIR (PDB ID 1PWY)
Methotrexate (Pubchem)
Imatinib (Drugbank)
Crystal structure of the human DDR1 kinase domain in complex with imatinib (PDB ID 4BKJ)
Olaparib (Pubchem)
HUMAN ARTD2 (PARP2) - CATALYTIC DOMAIN IN COMPLEX WITH OLAPARIB (PDB ID 4TVJ)
Venetoclax (Pubchem) e (Drugbank)
Crystal structure of BCL-2 with venetoclax (PBD ID 6O0K)
10 topic
Antihistamine drugs
Doxepin (Pubchem)
Structure of the human histamine H1 receptor in complex with doxepin (PDB 3RZE)
La chimica immagine del mondo
(...) The nobility of man, acquired in a hundred centuries of trials and errors, consisted in becoming lord of matter (...) I enrolled in Chemistry because I wanted to remain faithful to this nobility (...) overcoming matter is understanding it, and understanding matter is necessary to understand ourselves. Mendeleev's Periodic System, which in those weeks I was laboriously learning to unravel, was a poem, the highest and most solemn of all the poems digested in high school ». Primo Levi, 1937.
(...) La nobiltà dell’uomo, acquisita in cento secoli di prove ed errori, era consistita nel farsi signore della materia (…) mi ero iscritto a Chimica perché a questa nobiltà mi volevo mantenere fedele (…) vincere la materia è comprenderla, e comprendere la materia è necessario per comprendere noi stessi. Il sistema Periodico di Mendeleev, che proprio in quelle settimane imparavamo laboriosamente a dipanare, era una poesia, la più alta e la più solenne di tutte le poesie digerite in liceo». Primo Levi, 1937.
Contacts us & credits
alcaro@unicz.it - isabella.romeo@unicz.it
giulia.panzarella@studenti.unicz.it gianmarco.gualtieri@studenti.unicz.it
Stefano Alcaro, Prof. of General Medicinal Chemistry and Medicinal and Toxicological Chemistry I
Università Magna Graecia University di Catanzaro, Viale Europa 88100, Catanzaro, Italy