Indexé dans
- Base de données des revues académiques
- Genamics JournalSeek
- Clés académiques
- JournalTOCs
- Infrastructure nationale des connaissances en Chine (CNKI)
- Scimago
- Accès à la recherche mondiale en ligne sur l'agriculture (AGORA)
- Bibliothèque des revues électroniques
- RechercheRef
- Répertoire d'indexation des revues de recherche (DRJI)
- Université Hamdard
- EBSCO AZ
- OCLC - WorldCat
- Catalogue en ligne SWB
- Bibliothèque virtuelle de biologie (vifabio)
- Publions
- MIAR
- Commission des bourses universitaires
- Fondation genevoise pour la formation et la recherche médicales
- Pub européen
- Google Scholar
Liens utiles
Partager cette page
Dépliant de journal
Revues en libre accès
- Agriculture et aquaculture
- Alimentation et nutrition
- Biochimie
- Bioinformatique et biologie des systèmes
- Business & Management
- Chimie
- Génétique et biologie moléculaire
- Immunologie & Microbiologie
- Ingénierie
- La science des matériaux
- Neurosciences & Psychologie
- Science générale
- Sciences cliniques
- Sciences environnementales
- Sciences médicales
- Sciences pharmaceutiques
- Sciences vétérinaires
- Soins infirmiers et soins de santé
Abstrait
Denovo Designing, Virtual Screening and Lead Optimization of Potential Drug Candidate for Herpes Disease
Monica Sharma, Puneet Rawat and Ankita Mehta
Herpes simplex virus (HSV1, HSV 2) is a neurotropic and neuroinvasive virus which becomes latent and causes a lifelong infection. HSV-1 and 2 produce infected cell protein (ICP)-47 against MHC class I antigen presentation pathway by inhibiting the transporter associated with antigen processing (TAP). ICP 47 is also responsible for evasive nature of HSV in human immune system. Currently available antiviral drugs and vaccines only slowdowns the infection but it does not cure the infection. In present study, we have in silico designed a potential drug candidate against HSV ICP-47 target through de-novo pathway using eLEA3D. The derived ligand docked with the natural viral receptor ICP-47 showed the binding affinity of -4.07, but it was found toxic in FAF DRUG online ADMET tool, due to presence of high risk imine group. Further manual optimization led to generation of many bioisosteres and final lead structure showed no toxicity and a high binding affinity of -7.53. Our designed lead can act as a potential therapeutic compound against HSV.