[HTML][HTML] A hypothesis on designing strategy of effective RdRp inhibitors for the treatment of SARS-CoV-2

U Chaube, BD Patel, HG Bhatt - 3 Biotech, 2023 - Springer
Vaccines are used as one of the major weapons for the eradication of pandemic. However,
the rise of different variants of the SARS-CoV-2 virus is creating doubts regarding the end of …

[PDF][PDF] Discovery of natural anti-apoptotic protein inhibitor using molecular docking and MM-GBSA Approach: An anticancer intervention

S Dey, AK Singh, S Kumar - 2022 - biointerfaceresearch.com
Apoptosis is a programmed molecular phenomenon in normal cells, and" evading
apoptosis" is a hallmark of cancer. Overexpression of anti-apoptotic BCL-2 promotes cancer …

Designing of neoepitopes based vaccine against breast cancer using integrated immuno and bioinformatics approach

M Shuaib, AK Singh, S Gupta, AF Alasmari… - Journal of …, 2023 - Taylor & Francis
Cancer is characterized by genetic instability due to accumulation of somatic mutations in
the genes which generate neoepitopes (mutated epitopes) for targeting by Cytotoxic T …

Computational approaches: Atom-based 3D-QSAR, molecular docking, ADME-Tox, MD simulation and DFT to find novel multi-targeted Anti-tubercular agents

D Panigrahi, SK Sahu - 2024 - researchsquare.com
Tuberculosis (TB) has become the biggest threat towards human society due to the rapid
rise in resistance of the causative bacteria Mycobacterium tuberculosis (MTB) against the …

[PDF][PDF] In Silico Exploration of Bisphosphonate Scaffolds as Potential Inhibitors of SARS-CoV-2 RdRp for COVID-19 and PASC

M Garg, M Sankaranarayanan, SS Vasan - 2023 - scholar.archive.org
The novel coronavirus disease (COVID-19) pandemic has resulted in over 720 million
confirmed cases and 7 million deaths worldwide, with insufficient treatment options …

[PDF][PDF] Molecular Docking, Synthesis and In Vitro Alpha Amylase Activities of Newer Generation Imidazolo-Pyrimidine Derivatives

V Sharma, P Panwar, P Verma, A Rahman, B Tomar… - 2024 - researchgate.net
Diabetes mellitus is a chronic disease in which the blood sugar level or blood glucose
reaches too high. Our body can make glucose, which also comes from our food. Insulin is a …

Molecular Docking and Dynamics Identifies Potential Repurposed Drug Candidates for COVID-19 Studies

M Muzaffar-Ur-Rehman, C Suryakant, A Chandu… - 2023 - preprints.org
The novel coronavirus disease 19 (COVID-19) has resulted in an estimated 20 million
excess deaths and the recent resurgence of COVID-19 in China is predicted to result in up to …

Atividade antimicrobiana da planta Azadirachta indica (nim indiano)–uma revisão integrativa.

EM Guedes, CMS de Mendonça… - Diversitas …, 2022 - diversitas.emnuvens.com.br
Azadirachta indica A. Juss, conhecida comumente como Nim indiano é uma planta exótica
asiática, que apresenta um grande potencial terapêutico. O Nim possui como principal …

[PDF][PDF] Identification of potential CDK 8 inhibitor from pyrimidine derivatives via In-Silico approach

PB Patil, ST Kumbhar - jmpas.com
Pyrimidinesare six-membered heterocyclic scaffold present naturally in nucleic acid
components and are promising leads for the synthesis of medicinally important compounds …

Identification of potential human chymase inhibitors using molecular docking and molecular dynamics simulation

A Rozindar, DBM Virupakshaiah… - Journal of Applied …, 2023 - journals.ansfoundation.org
Chymase is a hydrolase class of enzymes that involves hydrolysis of peptide bonds. It is
abundant in secretory granules of mast cells. Mast cell chymase is involved in the synthesis …