Affiliation:
1. Department of Biotechnology, Faculty of Life Sciences, University of Central Punjab, Lahore, Pakistan
Abstract
Background:
Pandemic of COVID-19 has gathered up the surrounding respiratory diseases
such as asthma. The need to combat asthma is an unanswerable question nowadays and about 20-30% of
people are getting into the trap of asthma.
Objectives:
The mechanistic involvement of GPCR receptors in the protuberant signaling pathway such
as Neuropeptide S receptor 1 (NPSR1 receptor) acts as a projected entry that needs to be inhibited for the
prohibition of asthma.
Methods:
Exaggerative G-proteins of NPSR1 receptors are exposed as a target through GPCR modeling
to point drug targeting. Three Drug-Drug Conjugates (DDCs) are designed through the combination of
nine chemical compounds through methylene bridges and selection was done based on docking energy
and ADMET profiling. Designation of three Monoclonal Antibody Conjugates (MACs) is expedited using
single monoclonal antibodies, linked through EAAAK linkers and the best conjugate was valued
based on docking energy, allergenicity, toxicity, and surface accessibility leading towards cloning and
expression.
Results:
The best Drug-Drug Conjugate was Fluoroquinolone and 1-Indanone conjugate which possessed
-7.7 Kcal/mol docking energy, lipophilicity 6.41, water solubility 1.19e-09 mg/ml, and pharmacokinetics
-8.31 cm/s, indicating it to act as best drug candidate. The best Monoclonal Antibody Conjugate was
Ustekinumab and Belimumab conjugate which retained -383.1 Kcal/mol docking energy, computed as
non-allergen and nontoxic.
Conclusion::
The use of MACs and DDCs may prove an effective treatment for lethal diseases like asthma
and the future exertion will support the in vitro synthesis delivered in this study of conjugation against
bronchial diseases.
Publisher
Bentham Science Publishers Ltd.
Subject
Drug Discovery,Pharmaceutical Science,Molecular Medicine
Cited by
3 articles.
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