| Title : Zinc metal carboxylates as Potential anti-Alzheimer's candidate: In-vitro anticholinesterase, antioxidant and molecular docking studies - Zafar_2020_J.Biomol.Struct.Dyn__1 |
| Author(s) : Zafar R , Zubair M , Ali S , Shahid K , Waseem W , Naureen H , Haider A , Saeed Jan M , Ullah F , Sirajuddin M , Sadiq A |
| Ref : J Biomol Struct Dyn , :1 , 2020 |
| Abstract : In search of suitable therapy for the management of Alzheimer's disease, this study was designed to evaluate metal complexes against its biochemical targets. Zinc metal carboxylates (AAZ1 - AAZ6) were evaluated against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). The antioxidant in combination with anticholinesterase activity can be considered as an important target in the management of Alzheimer's disease. Therefore, these compounds were also screened for ABTS and DPPH free radicals scavenging activity. In AChE inhibition assay, we noticed encouraging IC50 values of 33.07 and 59.52 microM for compounds AAZ5 and AAZ3 respectively. However, when we tested BChE activity, we observed an outstanding IC50 of 0.056 microM for compound AAZ6. Amazingly all of our compounds (AAZ1 - AAZ6) were proved to be strong antioxidants which actively supplement the anti-Alzheimer's activity. Majority of our compounds exhibited lower IC50 values than the standard ascorbic acid both in DPPH and ABTS assays. We also correlated our results with molecular docking studies. Results elaborated that AAZ 1 and AAZ 5 exhibits strong interactions with amino acids HIS 362, HIS 398, GLU 306 ARG 289 and SER 237 inside binding pocket of targeted protein. In remarks, we can claim that our synthesized zinc metal carboxylates have strong potency to manage Alzheimer's disease on both anticholinesterase and antioxidant targets. |
| ESTHER : Zafar_2020_J.Biomol.Struct.Dyn__1 |
| PubMedSearch : Zafar_2020_J.Biomol.Struct.Dyn__1 |
| PubMedID: 32013770 |
Zafar R, Zubair M, Ali S, Shahid K, Waseem W, Naureen H, Haider A, Saeed Jan M, Ullah F, Sirajuddin M, Sadiq A (2020)
Zinc metal carboxylates as Potential anti-Alzheimer's candidate: In-vitro anticholinesterase, antioxidant and molecular docking studies
J Biomol Struct Dyn
:1
Zafar R, Zubair M, Ali S, Shahid K, Waseem W, Naureen H, Haider A, Saeed Jan M, Ullah F, Sirajuddin M, Sadiq A (2020)
J Biomol Struct Dyn
:1