Tackling undruggable targets with designer peptidomimetics and synthetic biologics

CS Swenson, G Mandava, DM Thomas… - Chemical …, 2024 - ACS Publications
The development of potent, specific, and pharmacologically viable chemical probes and
therapeutics is a central focus of chemical biology and therapeutic development. However, a …

Exploring Peptido‐Nanocomposites in the Context of Amyloid Diseases

N Andrikopoulos, H Tang, Y Wang… - Angewandte Chemie …, 2024 - Wiley Online Library
Therapeutic peptides are a major class of pharmaceutical drugs owing to their target‐
binding specificity as well as their versatility in inhibiting aberrant protein‐protein …

Triazole–peptide conjugate as a modulator of Aβ-aggregation, metal-mediated Aβ-aggregation, and cytotoxicity

S Mann, A Kaur, A Kaur, N Priyadarshi… - ACS Chemical …, 2023 - ACS Publications
Amyloid-β (Aβ) aggregation plays a key role in the pathogenesis of Alzheimer's disease
(AD). Along with this, the presence of redox-active metals like Cu2+ further enhances Aβ …

An amphiphilic small molecule drives insulin aggregation inhibition and amyloid disintegration

A Das, YM Gangarde, R Pariary, A Bhunia… - International Journal of …, 2022 - Elsevier
The aggregation of proteins into ordered fibrillar structures called amyloids, and their
disintegration represent major unsolved problems that limit the therapeutic applications of …

Mechanistic insights into the mitigation of Aβ aggregation and protofibril destabilization by ad-enantiomeric decapeptide rk10

K Singh, A Kaur, D Goyal, B Goyal - Physical Chemistry Chemical …, 2022 - pubs.rsc.org
According to clinical studies, the development of Alzheimer's disease (AD) is linked to the
abnormal aggregation of amyloid-β (Aβ) peptides into toxic soluble oligomers, protofibrils as …

[HTML][HTML] Rational design and computational evaluation of a multi-epitope vaccine for monkeypox virus: Insights into binding stability and immunological memory

A Kaur, A Kumar, G Kumari, R Muduli, M Das, R Kundu… - Heliyon, 2024 - cell.com
Multi-epitope vaccines strategically tackle rapidly mutating viruses by targeting diverse
epitopes from different proteins, providing a comprehensive and adaptable immune …

Identification of new pentapeptides as potential inhibitors of amyloid–β42 aggregation using virtual screening and molecular dynamics simulations

A Kaur, B Goyal - Journal of Molecular Graphics and Modelling, 2023 - Elsevier
Alzheimer's disease (AD) is a multifactorial neurodegenerative disease mainly characterized
by extracellular accumulation of amyloid-β (Aβ) peptide. Previous studies reported …

Unveiling how hydroxytyrosol destabilizes α-syn oligomers using molecular simulations

G Kaur, OK Mankoo, D Goyal… - The Journal of Physical …, 2023 - ACS Publications
The etiology of Parkinson's disease (PD) is mainly linked to the α-synuclein (α-Syn)
fibrillogenesis. Hydroxytyrosol (HT), also known as 3, 4-dihydroxyphenylethanol, is a …

Unravelling the destabilization potential of ellagic acid on α-synuclein fibrils using molecular dynamics simulations

OK Mankoo, A Kaur, D Goyal, B Goyal - Physical Chemistry Chemical …, 2023 - pubs.rsc.org
The aberrant deposition of α-synuclein (α-Syn) protein into the intracellular neuronal
aggregates termed Lewy bodies and Lewy neurites characterizes the devastating …

In silico design and identification of new peptides for mitigating hIAPP aggregation in type 2 diabetes

A Kaur, B Goyal - Journal of Biomolecular Structure and Dynamics, 2024 - Taylor & Francis
The aberrant misfolding and self-aggregation of human islet amyloid polypeptide (hIAPP or
amylin) into cytotoxic aggregates are implicated in the pathogenesis of type 2 diabetes …