Yahyea Baktiar Laskar

8 Questions 1 Answers 0 Followers

Questions related from Yahyea Baktiar Laskar

What are the tools available for computational predication of chemical synthesis of a particular compound?

I'm trying to predict the retrosynthesis of an experimental compound from its SMILE string and 3D structure using IBM RXN Chemistry Server. I got some results but not sure about their reliability....

04 May 2022 7,394 3 View

What is applicability domain in QSAR studies?

What is the applicability domain in QSAR studies and how to estimate that? I tool (VLifeMDS) I'm using for QSAR model generation also provides applicability domain analysis. However, this giving...

08 June 2021 9,241 3 View

How to prepare .lib and .frcmod parameter files for ligands in AMBER forcefield?

I'm trying to perform a molecular dynamics simulation of a protein-ligand complex. For that, I need to prepared ligand parameter files in .lib and .frcmod format. Is there any online server that...

08 May 2021 2,362 2 View

What HPLC Marker(s) should be used to detect anthocyanins in a sample?

What HPLC Marker(s) or standard is used to detect and quantify anthocyanins such as Delphinidin, Cyanidin in a given sample of plant extract?

24 February 2021 2,056 4 View

Can we consider a molecule as a "drug lead" if it has a positive charge in its structure?

Can we consider a positively charged molecule as a drug lead while designing a drug using computational tools?

08 September 2020 9,358 3 View

Do I need to take permission from the depositor to use chemical structures from pubchem?

I'm writing a chapter on medicinal plants and their merit in prevention and treatment of diseases. So I'm mentioning more than a dozen of phytocompounds and retrieving their structure form PubChem...

25 August 2019 9,048 3 View

What are the different ways to develop breast cancer in Swiss albino mice?

We are using 7,12-dimethylbenz[a] anthracene (DMBA) and Croton oil combination to induce breast cancer in Swiss albino mice. Is there any other method to do so effectively?

11 January 2019 1,948 3 View

What should be the parameters or tests needed to perform to establish the anticancer effects of a drug against DMBA induced breast cancer in mice?

I'm working on DMBA induced breast cancer in mice. What should be the histological, molecular or some other tests needs to perform to establish the anticancer and apoptotic activity of the natural...

20 September 2018 4,429 2 View