Page 91 - ITPS-7-1

INNOSC Theranostics and
Pharmacological Sciences Plants immunoactivity: In silico study

these pathogens encounter two further lines of defense: experiences, with immunomodulation exhibiting some
The innate and acquired immune responses. This robust level of anti-multiple myeloma efficacy .
[10]
host defense is adequate to safeguard us against immune- Computational (in silico) approaches are commonly used
related illnesses and pathogenic invaders, facilitated in drug development. The notable advantage of employing
by the efficient interplay between innate and acquired in silico approaches lies in their ability to rapidly predict
[1]
immunity . In addition, there are alternative avenues outcomes for a vast array of phytochemicals offering high-
for modulating immune responses, including naturally throughput predictions. In addition, they are able to predict
occurring or synthesized compounds capable of modifying therapeutically relevant molecules based on chemical
these pathways . structures even before their physical synthesis. As a result,
[2]
Natural compounds are a common foundation for the in silico approaches find early application in the drug
development of therapeutic treatments. In the last four development process, particularly for compounds intended
decades, around a quarter of all approved medications for synthesis. This proves especially important when there
(excluding biologicals) were derived from natural sources, lacks an existing drug molecule with curative effects against
and another quarter was found in the environment, often a human disease. Incorporating computational approaches
by exploiting the pharmacophore of these molecules . at the outset also helps reduce the risk of false positives,
[3]
Among these, plant-derived immunomodulators are which could otherwise result in a high attrition rate during
[11]
a fascinating subject of study, offering a multitude of the later phases of drug development .
potential avenues . For this study, our focus rests on One of the key aspects of computational studies is
[4]
Withania somnifera and Aloe barbadensis as the pivotal network pharmacology. Through the integration of
therapeutic plant candidates for in silico analysis. bioinformatics, cheminformatics, and network biology,
W. somnifera (also known as Ashwagandha) is a network pharmacology has emerged as a dominating
biologically active plant that boasts an extensive spectrum approach for elucidating the complicated pharmaceutical
of medicinal compounds, including steroidal lactones mechanism of action associated with the bioactive
(withanolides), sitoindosides, and numerous other constituents found within diverse herbs and their
[12]
beneficial steroidal alkaloids, that have been used for pairings . Network pharmacology operates as an efficient
ages to treat a variety of ailments . On the other hand, A. tool to construct a “compound-protein/gene-disease”
[5]
barbadensis Miller is a perennial, xerophytic, succulent, network, shedding light on the regulatory principles
and shrubby or arborescent plant in the Asphodelaceae orchestrated by small molecules in a high-throughput
[13]
(Liliaceae) family with a pea-green tint. It is primarily manner . Moreover, network pharmacology delves into
found in arid regions across Africa, Asia, Europe, and the impact of plant bioactive constituents on both the
[14]
North America . Both W. somnifera and A. barbadensis organism’s interactome and the diseasome levels .
[6]
have found use as aphrodisiacs, analgesics, liver tonics, In this study, a pharmacology network was used to
diuretics, hypocholesterolemic agents, anxiolytics, deduce the potential curative benefits and pharmacology
antidepressants, immunomodulatory substances, and anti- activities of the active phytocompounds sourced from two
inflammatory agents [5,7] . herbal plants, W. somnifera and A. barbadensis. In silico
Multiple myeloma, a hematopoietic malignancy, docking was also utilized to analyze their binding affinities
constitutes approximately 10% of all hematologic at the diseasome level, with a specific focus on multiple
malignancies. Until the 2000s, limited success and myeloma.
advancements were observed, and achieving protracted
survival was unlikely. This malignancy follows a 2. Materials and methods
multistep process, originating as a clonal plasma cell The network pharmacology approach was implemented,
cancer . The premalignant stage, termed monoclonal adhering to a sequence of essential procedural stages. All
[8]
gammopathy of unknown significance, often serves information relating to bioactives, their targets, immune
as the initial indicator, heralding the onset of multiple gene targets, immune system pathways (I-PW), protein-
myeloma. This is succeeded by asymptomatic smoldering protein interactions (PPi), gene targets relevant to multiple
multiple myeloma and eventually active multiple myeloma, the interplay between bioactives and immune
myeloma . The immune system progressively weakens targets for multiple myeloma and I-PW-associated
[9]
as the disease evolves. To enhance treatment outcomes, interacting proteins (IA-IP) was derived from different
immunomodulatory drugs (IMiDs), proteasome knowledge bases (databases). The focal health condition
inhibitors (PI), and monoclonal antibodies have been under investigation throughout this study was multiple
introduced, ushering in an era of improved therapeutic myeloma.

Volume 7 Issue 1 (2024) 2 https://doi.org/10.36922/itps.1076