Computer sided drug design

Computer aided drug design or CADD
involves using various software to design drug molecule as per required therapeutic efficacy and physicochemical factors .
It is a main process used in drug discovery.

It involves study of
1.QSAR
2.Molecular Field rotation
3.Pharmacophore modeling
4.Docking
5.Target based drug designing
6.Proteonomics
5.Homology studies
Etc

Common softwares involved
1.Zinc database
2.Swiss Adme
Swiss docking
Swiss target prediction
3.MOPAC for QSAR
4.Marvin sketch
5.BLAST
Etc

Comments

Covid19 Lockdown effect on brain .

Effect of lockdown on mental health . Both social isolation and loneliness are major risk factors for poor physical and mental health status through enhanced chronic inflammation; As chronic inflammation biomarkers, neutrophil-to-lymphocyte ratio (NLR) and the concentration of high-sensitivity C-reactive protein (CRP) were measured. Isolated-Lonely condition (i.e., being both socially isolated and feeling lonely) was associated with higher NLR among men (B = 0.141, 95%CI = −0.01 to 0.29). Interestingly, Nonisolated-Lonely condition (i.e., not socially isolated but feeling lonely) was associated with lower CRP among women . Solution: 1.Personal resilience, coping behaviours, and social support were identified as protective factors against loneliness. 2. Engage in social engagement activities via social media app. Engage in helping other or solving problems of other to lower get sense of satisfaction . 3.learn a new skill, make a new habit , extend your creativity by trying differen...

review lithium as mood stabilizer

1.Lithium as a mood stabilizer has been used as the standard pharmacological treatment for Bipolar Disorder (BD) 2.Recent studies have also shown that it has the potential for the treatment of many other neurodegenerative disorders, including Alzheimer’s, Parkinson’s and Huntington’s disease, through its neurotrophic, neuroprotective, antioxidant and anti-inflammatory actions. -- Therefore, exploring its pharmacokinetic features and designing better lithium preparations are becoming important research topics. ---Lithium is rapidly and completely absorbed from the gastrointestinal tract after oral administration. Its level is initially highest in serum and then is evidently redistributed to various tissue compartments. It is not metabolized and over 95% of lithium is excreted unchanged through the kidney, but different lithium preparations may have different pharmacokinetic features. Lithium has a narrow therapeutic window limited by various adverse effects, but some no...

Drug toxicity of psychotropic drugs

Drug toxicity of psychotropic drugs. Drug toxicity is the development of severe, drug-related complications, which may require premature drug withdrawal or dose reduction. 1. acute toxicity is highest in. antidepressants lower in neuroleptics very low in anxiolytics. 2. major problems stem Anxiolytic ---misuse and overuse. neuroleptics --- tardive dyskinesia is a serious threat to longterm therapy. antidepressants ---low therapeutic index and a resulting high incidence of severe and fatal poisoning cases, both intentional and accidental. 3.Poisoning death rates per million prescriptions were about 10 times higher for tricyclic antidepressants (TCAs) than for selective serotonin reuptake inhibitors (SSRIs), England and Wales, 1993-2004 4 .Psychotropic drugs with hepatotoxic potential can be classified based on their intended use: 1) antipsychoticsneuroleptics including phenothiazine...

Neuropsypharmacology

Search This Blog