Shalini Mani | Jaypee Institute of Information Technology (original) (raw)

Papers by Shalini Mani

Techniques in life science and biomedicine for the non-expert, 2023

Alzheimers & Dementia, Dec 1, 2022

BackgroundThe aged and damaged mitochondria are removed through a selective mode of autophagy cal... more BackgroundThe aged and damaged mitochondria are removed through a selective mode of autophagy called mitophagy. The mitophagy may be triggered mainly via Parkin‐dependent and Parkin‐independent pathways. However, in different pathological conditions, this process is impaired in neuronal cells and lead to a variety of neurodegenerative disease (NDD) including Alzheimer Disease (AD). In case of AD, the pathological conditions such as accumulation of amyloid beta plaques and neurofibrillary tangles are also reported to inhibit the clearance of damaged mitochondria via the process of mitophagy. Hence triggering the mitophagy may be a promising therapeutic approach for the management of such conditions. In light of the significant role of impaired mitophagy in AD, further studies have also investigated the regulatory pathways/ protein involved in triggering mitophagy. Consequently, in the recent past Rho‐kinase 2 (ROCK) in suggested to negatively regulate the Parkin‐dependent mitophagy pathway in neuronal cells. Thus, inhibition of ROCK protein may trigger mitophagy in the treated cells and may alleviate the pathological conditions. Several synthetic compounds are studied for their ROCK2 inhibiting ability, but due to their side effects; immense attention is being diverted towards the use of natural compounds. We explored the ROCK2‐targeting ability of phytocompounds from the 7 medicinal plants (Allium sativum, Camellia sinensis, Centella asiatica, Nelumbo nucifera, Punica granatun, Rosmarinus officinalis and Triticum aestivum) used as neuro‐tonic.Material & MethodsSelected 350 phytocompounds and y‐27632 dihydrochloride (control) were docked against ROCK2 using GLIDE (Schrödinger). Drug‐likeness and ADMET properties were predicted using Molinspiration and ADMETlab, respectively. Selected phytocompounds were also checked for their toxicity using ProTox‐II. Following these results, Molecular dynamics and simulation (MDS) using GROMACS, were performed for the selected phytocompounds.ResultsBased upon the free energy, toxicity analysis, and drug likeliness predictions, 11 phytocompounds were selected. MDS (100ns) showed mean RMSD for ROCK2‐Isoscutellarein (1.12nm) and ROCK2‐Epicatechin (2.42nm), indicating these may tightly bind with ROCK2 in a stable conformation. Isoscutellarein and Epicatechin also showed a toxicity score of 6 and 5, respectively, indicating their safe usage.ConclusionIsoscutellarein and Epicatechin, may behave as a potential inhibitor of ROCK2 and hence may trigger mitophagy in neuronal cells.

Journal of the Neurological Sciences, Dec 1, 2019

Indo global journal of pharmaceutical sciences, 2017

Journal of Pharmacy Research, 2018

INDIAN DRUGS, 2012

Obesity is a physical condition and causative factor for many strenuous abnormalities that result... more Obesity is a physical condition and causative factor for many strenuous abnormalities that results from excessive storage of fat in the body. Abnormal chronic conditions of obesity from whatever cause, leads to risk factors in cardiovascular disease, hyperlipidemia, hypertension, pulmonary disease, non-insulin dependent diabetes mellitus, arthritis, certain cancers (breast, uterus and colon), varicose vein and gall bladder disease. In this present review, we intend to educate and to create awareness of certain commonly used herbal plants which have been used as traditional remedy since the time of our ancestors for their lipid lowering activity. We discuss new potential targets for herbal remedy that may help people in gaining control over appetite as well as increase total energy expenditure and fat utilization.

Cardiovascular & Hematological Agents in Medicinal Chemistry

: Diabetes is a series of metabolic disorders that can be categorized into three types depending ... more : Diabetes is a series of metabolic disorders that can be categorized into three types depending on different aspects associated with age at onset, intensity of insulin resistance, and beta- cell dysfunction: Type 1 and 2 Diabetes, and Gestational Diabetes Mellitus. Type 2 Diabetes Mellitus (T2DM) has recently been found to account for more than 85% of diabetic cases. The current review intends to raise awareness among clinicians/researchers that combining vitamin D3 with metformin may pave the way for better T2DM treatment and management. An extensive literature survey was performed to analyze vitamin D’s role in regulating insulin secretion, their action on the target cells and thus maintaining the normal glucose level. On the other side, the anti-hyperglycemic effect of metformin as well as its detailed mechanism of action was also studied. Interestingly both compounds are known to exhibit the antioxidant effect too. Literature supporting the correlation between diabetic phenotypes and deficiency of vitamin D was also explored further. To thoroughly understand the common/overlapping pathways responsible for the antidiabetic as well as antioxidant nature of metformin and vitamin D3, we compared their antihyperglycemic and antioxidant activities. With this background, we are proposing the hypothesis that it would be of great interest if these two compounds could work in synergy to better manage the condition of T2DM and associated disorders.

Journal of Alzheimer's Disease

Alzheimer’s disease (AD) is characterized by the progressive degeneration of neuronal cells. With... more Alzheimer’s disease (AD) is characterized by the progressive degeneration of neuronal cells. With the increase in aged population, there is a prevalence of irreversible neurodegenerative changes, causing a significant mental, social, and economic burden globally. The factors contributing to AD are multidimensional, highly complex, and not completely understood. However, it is widely known that aging, neuroinflammation, and excessive production of reactive oxygen species (ROS), along with other free radicals, substantially contribute to oxidative stress and cell death, which are inextricably linked. While oxidative stress is undeniably important in AD, limiting free radicals and ROS levels is an intriguing and potential strategy for deferring the process of neurodegeneration and alleviating associated symptoms. Therapeutic compounds from natural sources have recently become increasingly accepted and have been effectively studied for AD treatment. These phytocompounds are widely avail...

Antioxidants & Redox Signaling, Jul 20, 2023

Lecture notes in mechanical engineering, 2023

Springer eBooks, 2020

Endophytic fungi are capable of producing plant associated metabolites and their analogs with the... more Endophytic fungi are capable of producing plant associated metabolites and their analogs with therapeutic value. In order to identify the potential endophytic isolates producing bioactive compounds, one need to screen all isolated endophytes, which may run into hundreds. Isolation of endophytic fungi is relatively a simple process; but screening of the isolated fungi for required metabolite production is a cumbersome process. Endophytic fungi producing plant associated metabolites may contain genes involved in the entire biosynthetic pathway(s). Therefore, ascertaining the presence of key enzymes of a particular biosynthetic pathway could serve as a molecular marker for screening of these endophytes to produce that metabolite. In absence of entire biosynthetic pathways in endophytic fungi, plant genes associated with that metabolic pathway could serve as markers. This review focuses on the impact of molecular approaches to screen the endophytic fungi for the production of bioactive compounds. An attempt has been made on screening of anticancer compounds like taxol (paclitaxel), podophyllotoxin, and camptothecin using molecular markers. The advantages of molecular approaches over conventional methods to screen endophytic fungi and also identification of endophytic fungi are discussed.

Materials Today: Proceedings, 2023

Mitochondrion, Nov 1, 2021

White spot disease caused by white spot syndrome virus (WSSV) is a lethal disease for shrimp. Env... more White spot disease caused by white spot syndrome virus (WSSV) is a lethal disease for shrimp. Envelope structural proteins play a major role in viral attachment and are believed to be the initial molecules to interact with the host cell. Thus, the envelope proteins have been preferred as a potential molecular target for drug discovery. In the present investigation, molecular docking and simulation analysis were performed to predict the binding efficiency of phytocompounds identified from Phyllanthus amarus with major envelope proteins, VP26, VP28, and VP110, and a nucleocapsid protein VP664 of WSSV. The docking result reveals that the compounds 2H-1-benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-acetate and 1,4-benzenediamine, N,N 0-diphenyl exhibited highest binding energy with the envelope proteins. The mobility of protein-ligand binding complex at various time intervals was validated by molecular dynamics and simulation study. Therefore, P. amarus phytocompounds were found to be most suitable inhibitors for the antiviral treatment for WSSV infection.