Page 100 - ITPS-7-1

INNOSC Theranostics and
Pharmacological Sciences Plants immunoactivity: In silico study

Table 3. Illustrating the Target Binding Affinity of the hub targets and some of the highly connected active phytocompounds
from the network analysis
Phytochemical AKT1 HCK PDPK1 JAK2 KIT MMP9 GRB2 IL2 BTK MDM2 MAPK3 STAT3 HRAS
Withanolide Q −12.4 −9.6 −10.5 −9.8 −8.7 −8.5 −8 −7.6 −9.8** −8.4 −9.1 −8.3 −9.2
Hydrocortisone −10 −8.5 −7.8 −8 −8.8 −8 −6.5 −6.3 −8.6 −7.3 −7.8 −7.9 −7.4
2,3−didehrdrosomnifericin −12.1 −9.4 −9.5 −7.9 −9.2 −8.5 −8 −7 −9.1 −7.6 −9.2 −8.2 −8.8
Somniferine −8.9 −10.1* −8.2 −8.4 −9.4 −10* −8.6* −7.8 −8 −8.3 −9.3 −9.3 −9.5
Withaferin A −12.3 −9.3 −9.9 −9.3 −9.5 −9 −8 −7.5 −8.9 −8.2 −8 −8 −9.9*
Withanolide G 12.5* −9.7 10.7* 10.3 10 −9.1 −8.6* −7.9* −9.2 −8.7* −8.3 −8.3 −8.8
27−deoxywithaferin A −12.1 −10 −9.9 −10.4 −10.5* −9.2 −8.4 −7.5 −9.7 −8.1 −9.1 −9.1 −8.9
Somniferanolide −13.1** −9.7 −9.6 −10.6* −10.1 −8.2 −7 −9.2 −8.7 −9.3 −9.3* −9.9*
Somniwithanolide −11.3 −8.9 −9.3 −7.1 −8.2 −8.2 −7.2 −6.3 −8.4 −7.1 −8.5 −8.5 −9
Chlorogenic acid −9.3 −8.3 −8.5 −9.2 −7.9 −7.4 −7 −5.8 −7.6 −7.4 −8.7 −7.8 −8.6
Delta7avenasterol −11.7 −8.8 −9.6 −9.6 −8.9 −8.5 −7.4 6.5 −8.7 −7.4 −8.9 −7.3 −8.5
Quercetin −9.8 −9.1 −9.1 −8.8 −9.5 −9.7 −6.7 −6.6 −8.6 −7.1 −8.6 −8.2 −8.3
Rhein −10.5 9.1 −9.9 −9.3 −9.1 −8.5 −7.1 −6.5 −9.1 −7.4 −9.1 −9.1 −7.7
7−hydroxyaloin −8.9 −9.3 −8.4 −7.8 −7.8 −8.4 −6.9 −6.2 −8.1 −6.7 −8.1 −8 −7.8
Guggulsterone −11.3 −8.8 −9.7 −7.3 −9 −8.4 −7.3 −6.8 −9.2 −8.3 −8.2 −8.9 −7.6
Homonataloin −8.5 −8.4 −7.5 −8.2 −8.6 −8.3 −7 −6.4 −7.7 −7 −7.6 −8.1 −7.2
Somnifericin −11.2 −9.5 −9.6 −10 −9.1 −8.4 −7.5 −7 −9 −8.4 −8.1 −9 −8.7
Folic acid −10 −8.9 −9.5 −9.2 8.5 −8.6 −7.3 −6.8 −9.3* −7.9 −10.1* −8.7 −9.4
Stigmasterol −11.4 −9 −9.7 9.3 −9 −8.1 −7.6 −6.5 −8.8 −8 −8 −8 −8.6
Controls
Lenalidomide −9.3 −8.9 −7.4 −8.4 −7.7 −7.7 −6.6 −5.7 −7.8 −6.6 −8.1 −7.9 −7.6
Thalidomide −9.9 −8.8 −7.7 −8.6 −8 −9 −6.9 −6.2 −8.1 −6.9 −8.4 −7.4 −7.8
Notes: *Values with the highest binding affinity with regards to network pharmacology and mostly as a whole except the two instances. **Values with
the highest binding affinity regardless of network pharmacology.

interactions between the amino acids of the receptors and immune system, thereby eliciting an anticancer response .
[41]
the best-docked phytoconstituents. While the intricate interplay among varied immunological
components is not entirely understood, some advancements
The binding affinity energy table (Table 3) revealed have brought us closer to a holistic view of the immune
that withanolide G, somniferine, and somniferanolide system and its role in host defense . Capitalizing on their
[42]
consistently emerged as the best-docked phytoconstituents potent pharmacological attributes and minimal side effects,
across the majority of the multiple myeloma targets. This herbal medicines have become increasingly popular as
is indicative that the phytochemicals have the potential therapeutic agents against various diseases . Employing
[43]
immunomodulatory capabilities in the context of multiple a network pharmacology approach, we investigated the
myeloma. With further validation, these compounds could functional roles of the gene targets of the bioactives. This
prove to be useful lead compounds. exploration unraveled their immunomodulatory roles and
the systems-level pharmacological processes that underpin
4. Discussion the immunomodulatory effects of W. somnifera and A.

This study harnessed the power of network pharmacology barbadensis against multiple myeloma. This approach
to investigate the immunomodulatory potential of W. has previously been used in predicting potential lead
somnifera and A. barbadensis. In the trajectory of multiple compounds and understanding the mechanism of actions
[31]
myeloma, patients experience progressive immunological of different herbal plants in treating human diseases .
dysfunction. As a result, several therapy options have This study identified a selection of key gene targets,
emerged, aiming to navigate the immunosuppressive milieu including AKT1, HRAS, HSP90AA1, GRB2, PIK3R1,
of tumor microenvironments and stimulate the host’s and IL2. On delving into the interactome relationship

Volume 7 Issue 1 (2024) 11 https://doi.org/10.36922/itps.1076